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/timP-7bbeecff/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/timP-7bbeecff/inputs/seq.fa: 1 curr_seq: _GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU 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 294 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: 1475 n_atoms_counter: 1475 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 294.000000 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/timP-7bbeecff/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/timP-7bbeecff/inputs/seq.fa: 1 curr_seq: _GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU 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 294 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: 1475 n_atoms_counter: 1475 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 294.000000 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/timP-7bbeecff/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/timP-7bbeecff/inputs/seq.fa: 1 curr_seq: _GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU 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 294 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: 1475 n_atoms_counter: 1475 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 294.000000 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/timP-7bbeecff/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/timP-7bbeecff/inputs/seq.fa: 1 curr_seq: _GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU 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 294 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: 1475 n_atoms_counter: 1475 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 294.000000 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/timP-7bbeecff/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/timP-7bbeecff/inputs/seq.fa: 1 curr_seq: _GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU 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 294 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: 1475 n_atoms_counter: 1475 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 294.000000 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/timP-7bbeecff/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/timP-7bbeecff/inputs/seq.fa: 1 curr_seq: _GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU 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 294 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: 1475 n_atoms_counter: 1475 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 294.000000 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/timP-7bbeecff/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/timP-7bbeecff/inputs/seq.fa: 1 curr_seq: _GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU 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 294 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: 1475 n_atoms_counter: 1475 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 294.000000 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/timP-7bbeecff/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/timP-7bbeecff/inputs/seq.fa: 1 curr_seq: _GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU 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 294 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: 1475 n_atoms_counter: 1475 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 294.000000 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/timP-7bbeecff/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/timP-7bbeecff/inputs/seq.fa: 1 curr_seq: _GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU 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 294 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: 1475 n_atoms_counter: 1475 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 294.000000 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/timP-7bbeecff/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/timP-7bbeecff/inputs/seq.fa: 1 curr_seq: _GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: GGCCCUUUCCGCCGUCUCGCAAACGGGCGCUGGCUUCAGGAGAGGAUAACCCAUGGCCGUAAGCGCAGGCACACCGUAGUGCCUGCUAUCACGGCAUUAUCGCCAGCGGUGCUGCCGUGAUGCGGUCUUCGCAAGGACCGCAACAUGAAGGUACGAUGCUUUUGUGUCGUGCUUCUUGUUUCUGGCACGUUGUGUCUUCACGCAGACAGAAGCUACCCAGGUAAUUCUGUUCCCGUAACGCUCAACGUCCAGAGCAGGUAAGCCAGGAGGCCGCCCUGUUGGGCGGCUUUCUUU 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 294 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: 1475 n_atoms_counter: 1475 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 294.000000 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: -1178.765689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.765689 (E_RNA) where: Base-Base interactions energy: -34.656 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.000 local terms energy: -1144.109187 where: bonds (distance) C4'-P energy: -285.644 bonds (distance) P-C4' energy: -263.922 flat angles C4'-P-C4' energy: -215.862 flat angles P-C4'-P energy: -246.923 tors. eta vs tors. theta energy: -131.758 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: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -1178.765689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.765689 (E_RNA) where: Base-Base interactions energy: -34.656 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.000 local terms energy: -1144.109187 where: bonds (distance) C4'-P energy: -285.644 bonds (distance) P-C4' energy: -263.922 flat angles C4'-P-C4' energy: -215.862 flat angles P-C4'-P energy: -246.923 tors. eta vs tors. theta energy: -131.758 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -1178.765689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.765689 (E_RNA) where: Base-Base interactions energy: -34.656 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.000 local terms energy: -1144.109187 where: bonds (distance) C4'-P energy: -285.644 bonds (distance) P-C4' energy: -263.922 flat angles C4'-P-C4' energy: -215.862 flat angles P-C4'-P energy: -246.923 tors. eta vs tors. theta energy: -131.758 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: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -1178.765689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.765689 (E_RNA) where: Base-Base interactions energy: -34.656 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.000 local terms energy: -1144.109187 where: bonds (distance) C4'-P energy: -285.644 bonds (distance) P-C4' energy: -263.922 flat angles C4'-P-C4' energy: -215.862 flat angles P-C4'-P energy: -246.923 tors. eta vs tors. theta energy: -131.758 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: 1 Temperature: 1.100000 Total energy: -1178.765689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.765689 (E_RNA) where: Base-Base interactions energy: -34.656 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.000 local terms energy: -1144.109187 where: bonds (distance) C4'-P energy: -285.644 bonds (distance) P-C4' energy: -263.922 flat angles C4'-P-C4' energy: -215.862 flat angles P-C4'-P energy: -246.923 tors. eta vs tors. theta energy: -131.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -1178.765689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.765689 (E_RNA) where: Base-Base interactions energy: -34.656 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.000 local terms energy: -1144.109187 where: bonds (distance) C4'-P energy: -285.644 bonds (distance) P-C4' energy: -263.922 flat angles C4'-P-C4' energy: -215.862 flat angles P-C4'-P energy: -246.923 tors. eta vs tors. theta energy: -131.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -1178.765689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.765689 (E_RNA) where: Base-Base interactions energy: -34.656 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.000 local terms energy: -1144.109187 where: bonds (distance) C4'-P energy: -285.644 bonds (distance) P-C4' energy: -263.922 flat angles C4'-P-C4' energy: -215.862 flat angles P-C4'-P energy: -246.923 tors. eta vs tors. theta energy: -131.758 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -1178.765689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.765689 (E_RNA) where: Base-Base interactions energy: -34.656 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.000 local terms energy: -1144.109187 where: bonds (distance) C4'-P energy: -285.644 bonds (distance) P-C4' energy: -263.922 flat angles C4'-P-C4' energy: -215.862 flat angles P-C4'-P energy: -246.923 tors. eta vs tors. theta energy: -131.758 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -1178.765689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.765689 (E_RNA) where: Base-Base interactions energy: -34.656 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.000 local terms energy: -1144.109187 where: bonds (distance) C4'-P energy: -285.644 bonds (distance) P-C4' energy: -263.922 flat angles C4'-P-C4' energy: -215.862 flat angles P-C4'-P energy: -246.923 tors. eta vs tors. theta energy: -131.758 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: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -1178.765689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.765689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.765689 (E_RNA) where: Base-Base interactions energy: -34.656 where: short stacking energy: -34.656 Base-Backbone interact. energy: -0.000 local terms energy: -1144.109187 where: bonds (distance) C4'-P energy: -285.644 bonds (distance) P-C4' energy: -263.922 flat angles C4'-P-C4' energy: -215.862 flat angles P-C4'-P energy: -246.923 tors. eta vs tors. theta energy: -131.758 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: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -1421.585992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.585992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.585992 (E_RNA) where: Base-Base interactions energy: -597.616 where: short stacking energy: -594.464 Base-Backbone interact. energy: -0.218 local terms energy: -823.751984 where: bonds (distance) C4'-P energy: -185.795 bonds (distance) P-C4' energy: -169.905 flat angles C4'-P-C4' energy: -194.978 flat angles P-C4'-P energy: -127.762 tors. eta vs tors. theta energy: -145.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -1342.072326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.072326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.072326 (E_RNA) where: Base-Base interactions energy: -553.306 where: short stacking energy: -552.603 Base-Backbone interact. energy: -0.236 local terms energy: -788.529963 where: bonds (distance) C4'-P energy: -173.235 bonds (distance) P-C4' energy: -186.967 flat angles C4'-P-C4' energy: -176.847 flat angles P-C4'-P energy: -110.792 tors. eta vs tors. theta energy: -140.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -1241.979629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.979629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.979629 (E_RNA) where: Base-Base interactions energy: -503.465 where: short stacking energy: -500.374 Base-Backbone interact. energy: -0.384 local terms energy: -738.131313 where: bonds (distance) C4'-P energy: -166.246 bonds (distance) P-C4' energy: -193.187 flat angles C4'-P-C4' energy: -172.828 flat angles P-C4'-P energy: -89.083 tors. eta vs tors. theta energy: -116.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -1222.802867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.802867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.802867 (E_RNA) where: Base-Base interactions energy: -503.417 where: short stacking energy: -496.528 Base-Backbone interact. energy: -0.149 local terms energy: -719.237046 where: bonds (distance) C4'-P energy: -165.807 bonds (distance) P-C4' energy: -165.972 flat angles C4'-P-C4' energy: -165.030 flat angles P-C4'-P energy: -103.762 tors. eta vs tors. theta energy: -118.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -1194.662611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.662611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.662611 (E_RNA) where: Base-Base interactions energy: -98.865 where: short stacking energy: -98.865 Base-Backbone interact. energy: -0.000 local terms energy: -1095.796992 where: bonds (distance) C4'-P energy: -258.262 bonds (distance) P-C4' energy: -237.175 flat angles C4'-P-C4' energy: -218.411 flat angles P-C4'-P energy: -240.489 tors. eta vs tors. theta energy: -141.460 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -1199.008637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.008637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.008637 (E_RNA) where: Base-Base interactions energy: -117.403 where: short stacking energy: -117.403 Base-Backbone interact. energy: -0.000 local terms energy: -1081.605363 where: bonds (distance) C4'-P energy: -245.764 bonds (distance) P-C4' energy: -236.348 flat angles C4'-P-C4' energy: -218.298 flat angles P-C4'-P energy: -236.136 tors. eta vs tors. theta energy: -145.059 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -1186.817707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.817707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.817707 (E_RNA) where: Base-Base interactions energy: -88.700 where: short stacking energy: -88.700 Base-Backbone interact. energy: -0.000 local terms energy: -1098.117764 where: bonds (distance) C4'-P energy: -258.079 bonds (distance) P-C4' energy: -242.411 flat angles C4'-P-C4' energy: -215.698 flat angles P-C4'-P energy: -238.880 tors. eta vs tors. theta energy: -143.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -1179.589311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.589311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.589311 (E_RNA) where: Base-Base interactions energy: -37.616 where: short stacking energy: -37.616 Base-Backbone interact. energy: -0.000 local terms energy: -1141.973010 where: bonds (distance) C4'-P energy: -284.439 bonds (distance) P-C4' energy: -263.661 flat angles C4'-P-C4' energy: -215.135 flat angles P-C4'-P energy: -246.801 tors. eta vs tors. theta energy: -131.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -1179.849697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.849697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.849697 (E_RNA) where: Base-Base interactions energy: -38.703 where: short stacking energy: -38.703 Base-Backbone interact. energy: -0.000 local terms energy: -1141.146462 where: bonds (distance) C4'-P energy: -284.207 bonds (distance) P-C4' energy: -263.182 flat angles C4'-P-C4' energy: -214.731 flat angles P-C4'-P energy: -246.578 tors. eta vs tors. theta energy: -132.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -1184.148210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.148210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.148210 (E_RNA) where: Base-Base interactions energy: -109.862 where: short stacking energy: -109.862 Base-Backbone interact. energy: -0.000 local terms energy: -1074.286122 where: bonds (distance) C4'-P energy: -246.976 bonds (distance) P-C4' energy: -232.830 flat angles C4'-P-C4' energy: -216.078 flat angles P-C4'-P energy: -235.766 tors. eta vs tors. theta energy: -142.637 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: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -1486.249869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.249869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.249869 (E_RNA) where: Base-Base interactions energy: -655.706 where: short stacking energy: -655.148 Base-Backbone interact. energy: -0.674 local terms energy: -829.869344 where: bonds (distance) C4'-P energy: -187.539 bonds (distance) P-C4' energy: -180.540 flat angles C4'-P-C4' energy: -188.748 flat angles P-C4'-P energy: -104.698 tors. eta vs tors. theta energy: -168.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -1410.872105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.872105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.872105 (E_RNA) where: Base-Base interactions energy: -614.569 where: short stacking energy: -612.917 Base-Backbone interact. energy: -0.440 local terms energy: -795.862585 where: bonds (distance) C4'-P energy: -183.953 bonds (distance) P-C4' energy: -175.227 flat angles C4'-P-C4' energy: -184.091 flat angles P-C4'-P energy: -105.701 tors. eta vs tors. theta energy: -146.891 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: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -1297.323458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.323458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.323458 (E_RNA) where: Base-Base interactions energy: -556.263 where: short stacking energy: -547.329 Base-Backbone interact. energy: 0.944 local terms energy: -742.004484 where: bonds (distance) C4'-P energy: -173.014 bonds (distance) P-C4' energy: -173.445 flat angles C4'-P-C4' energy: -171.737 flat angles P-C4'-P energy: -111.360 tors. eta vs tors. theta energy: -112.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -1239.376626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.376626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.376626 (E_RNA) where: Base-Base interactions energy: -509.163 where: short stacking energy: -497.667 Base-Backbone interact. energy: 0.894 local terms energy: -731.107083 where: bonds (distance) C4'-P energy: -168.831 bonds (distance) P-C4' energy: -186.375 flat angles C4'-P-C4' energy: -172.350 flat angles P-C4'-P energy: -78.834 tors. eta vs tors. theta energy: -124.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -1100.556321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.556321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.556321 (E_RNA) where: Base-Base interactions energy: -437.278 where: short stacking energy: -423.370 Base-Backbone interact. energy: -0.216 local terms energy: -663.062455 where: bonds (distance) C4'-P energy: -170.658 bonds (distance) P-C4' energy: -172.196 flat angles C4'-P-C4' energy: -164.559 flat angles P-C4'-P energy: -94.509 tors. eta vs tors. theta energy: -61.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -1062.209078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.209078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.209078 (E_RNA) where: Base-Base interactions energy: -422.582 where: short stacking energy: -402.853 Base-Backbone interact. energy: -1.136 local terms energy: -638.490502 where: bonds (distance) C4'-P energy: -172.462 bonds (distance) P-C4' energy: -159.900 flat angles C4'-P-C4' energy: -148.473 flat angles P-C4'-P energy: -95.052 tors. eta vs tors. theta energy: -62.604 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: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -871.628477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.628477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.628477 (E_RNA) where: Base-Base interactions energy: -310.500 where: short stacking energy: -304.016 Base-Backbone interact. energy: -0.107 local terms energy: -561.021605 where: bonds (distance) C4'-P energy: -131.114 bonds (distance) P-C4' energy: -175.744 flat angles C4'-P-C4' energy: -149.413 flat angles P-C4'-P energy: -77.400 tors. eta vs tors. theta energy: -27.350 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: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -838.037305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.037305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.037305 (E_RNA) where: Base-Base interactions energy: -283.539 where: short stacking energy: -276.096 Base-Backbone interact. energy: 2.114 local terms energy: -556.612218 where: bonds (distance) C4'-P energy: -158.409 bonds (distance) P-C4' energy: -166.900 flat angles C4'-P-C4' energy: -141.321 flat angles P-C4'-P energy: -73.885 tors. eta vs tors. theta energy: -16.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -788.815419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.815419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.815419 (E_RNA) where: Base-Base interactions energy: -266.009 where: short stacking energy: -249.635 Base-Backbone interact. energy: 0.351 local terms energy: -523.157832 where: bonds (distance) C4'-P energy: -153.871 bonds (distance) P-C4' energy: -159.712 flat angles C4'-P-C4' energy: -117.388 flat angles P-C4'-P energy: -73.895 tors. eta vs tors. theta energy: -18.291 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: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -736.888749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.888749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.888749 (E_RNA) where: Base-Base interactions energy: -272.537 where: short stacking energy: -244.384 Base-Backbone interact. energy: -1.375 local terms energy: -462.977388 where: bonds (distance) C4'-P energy: -117.463 bonds (distance) P-C4' energy: -147.740 flat angles C4'-P-C4' energy: -109.807 flat angles P-C4'-P energy: -70.608 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: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -1575.612960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.612960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.612960 (E_RNA) where: Base-Base interactions energy: -719.024 where: short stacking energy: -719.024 Base-Backbone interact. energy: 0.575 local terms energy: -857.164607 where: bonds (distance) C4'-P energy: -180.744 bonds (distance) P-C4' energy: -192.173 flat angles C4'-P-C4' energy: -188.618 flat angles P-C4'-P energy: -111.425 tors. eta vs tors. theta energy: -184.203 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: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -1378.216332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.216332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.216332 (E_RNA) where: Base-Base interactions energy: -589.906 where: short stacking energy: -582.771 Base-Backbone interact. energy: -0.463 local terms energy: -787.847592 where: bonds (distance) C4'-P energy: -190.153 bonds (distance) P-C4' energy: -188.817 flat angles C4'-P-C4' energy: -171.112 flat angles P-C4'-P energy: -107.350 tors. eta vs tors. theta energy: -130.415 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -1265.379999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.379999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.379999 (E_RNA) where: Base-Base interactions energy: -533.927 where: short stacking energy: -514.724 Base-Backbone interact. energy: -0.977 local terms energy: -730.475542 where: bonds (distance) C4'-P energy: -146.651 bonds (distance) P-C4' energy: -174.875 flat angles C4'-P-C4' energy: -174.818 flat angles P-C4'-P energy: -124.337 tors. eta vs tors. theta energy: -109.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -1216.193412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.193412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.193412 (E_RNA) where: Base-Base interactions energy: -493.869 where: short stacking energy: -494.541 Base-Backbone interact. energy: 0.496 local terms energy: -722.820383 where: bonds (distance) C4'-P energy: -175.500 bonds (distance) P-C4' energy: -172.407 flat angles C4'-P-C4' energy: -167.463 flat angles P-C4'-P energy: -113.600 tors. eta vs tors. theta energy: -93.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -1079.358636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.358636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.358636 (E_RNA) where: Base-Base interactions energy: -425.285 where: short stacking energy: -386.432 Base-Backbone interact. energy: 1.498 local terms energy: -655.571081 where: bonds (distance) C4'-P energy: -155.054 bonds (distance) P-C4' energy: -174.235 flat angles C4'-P-C4' energy: -164.974 flat angles P-C4'-P energy: -104.616 tors. eta vs tors. theta energy: -56.692 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: 4 Temperature: 1.150000 Total energy: -983.608100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.608100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.608100 (E_RNA) where: Base-Base interactions energy: -332.508 where: short stacking energy: -322.257 Base-Backbone interact. energy: -2.253 local terms energy: -648.847134 where: bonds (distance) C4'-P energy: -178.253 bonds (distance) P-C4' energy: -169.105 flat angles C4'-P-C4' energy: -159.930 flat angles P-C4'-P energy: -91.191 tors. eta vs tors. theta energy: -50.368 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: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -881.457679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.457679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.457679 (E_RNA) where: Base-Base interactions energy: -334.529 where: short stacking energy: -269.965 Base-Backbone interact. energy: -1.983 local terms energy: -544.945406 where: bonds (distance) C4'-P energy: -138.133 bonds (distance) P-C4' energy: -170.122 flat angles C4'-P-C4' energy: -137.466 flat angles P-C4'-P energy: -95.819 tors. eta vs tors. theta energy: -3.405 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: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -826.600719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.600719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.600719 (E_RNA) where: Base-Base interactions energy: -294.114 where: short stacking energy: -270.801 Base-Backbone interact. energy: 2.259 local terms energy: -534.745503 where: bonds (distance) C4'-P energy: -156.568 bonds (distance) P-C4' energy: -148.505 flat angles C4'-P-C4' energy: -127.345 flat angles P-C4'-P energy: -97.498 tors. eta vs tors. theta energy: -4.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -736.460588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.460588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.460588 (E_RNA) where: Base-Base interactions energy: -260.275 where: short stacking energy: -241.657 Base-Backbone interact. energy: 3.771 local terms energy: -479.956421 where: bonds (distance) C4'-P energy: -132.571 bonds (distance) P-C4' energy: -130.223 flat angles C4'-P-C4' energy: -154.920 flat angles P-C4'-P energy: -80.794 tors. eta vs tors. theta energy: 18.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -750.082364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.082364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.082364 (E_RNA) where: Base-Base interactions energy: -274.265 where: short stacking energy: -224.804 Base-Backbone interact. energy: 0.750 local terms energy: -476.568058 where: bonds (distance) C4'-P energy: -129.589 bonds (distance) P-C4' energy: -154.656 flat angles C4'-P-C4' energy: -125.568 flat angles P-C4'-P energy: -98.055 tors. eta vs tors. theta energy: 31.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1515.148350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.148350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.148350 (E_RNA) where: Base-Base interactions energy: -704.838 where: short stacking energy: -674.175 Base-Backbone interact. energy: -0.158 local terms energy: -810.152266 where: bonds (distance) C4'-P energy: -171.220 bonds (distance) P-C4' energy: -177.834 flat angles C4'-P-C4' energy: -176.360 flat angles P-C4'-P energy: -120.811 tors. eta vs tors. theta energy: -163.928 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: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -1416.468674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.468674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.468674 (E_RNA) where: Base-Base interactions energy: -645.180 where: short stacking energy: -610.112 Base-Backbone interact. energy: 0.131 local terms energy: -771.419089 where: bonds (distance) C4'-P energy: -152.242 bonds (distance) P-C4' energy: -182.894 flat angles C4'-P-C4' energy: -192.174 flat angles P-C4'-P energy: -117.842 tors. eta vs tors. theta energy: -126.267 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: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -1323.553653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.553653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.553653 (E_RNA) where: Base-Base interactions energy: -540.671 where: short stacking energy: -523.365 Base-Backbone interact. energy: 3.650 local terms energy: -786.533188 where: bonds (distance) C4'-P energy: -176.988 bonds (distance) P-C4' energy: -189.710 flat angles C4'-P-C4' energy: -185.883 flat angles P-C4'-P energy: -105.705 tors. eta vs tors. theta energy: -128.247 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: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -1247.518559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.518559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.518559 (E_RNA) where: Base-Base interactions energy: -534.812 where: short stacking energy: -473.621 Base-Backbone interact. energy: -0.808 local terms energy: -711.899108 where: bonds (distance) C4'-P energy: -166.436 bonds (distance) P-C4' energy: -171.765 flat angles C4'-P-C4' energy: -168.188 flat angles P-C4'-P energy: -115.047 tors. eta vs tors. theta energy: -90.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -1118.147537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.147537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.147537 (E_RNA) where: Base-Base interactions energy: -466.672 where: short stacking energy: -429.491 Base-Backbone interact. energy: 2.377 local terms energy: -653.852135 where: bonds (distance) C4'-P energy: -157.527 bonds (distance) P-C4' energy: -165.495 flat angles C4'-P-C4' energy: -169.806 flat angles P-C4'-P energy: -82.007 tors. eta vs tors. theta energy: -79.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -974.871443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.871443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.871443 (E_RNA) where: Base-Base interactions energy: -397.324 where: short stacking energy: -338.255 Base-Backbone interact. energy: 4.850 local terms energy: -582.397666 where: bonds (distance) C4'-P energy: -153.151 bonds (distance) P-C4' energy: -173.725 flat angles C4'-P-C4' energy: -145.577 flat angles P-C4'-P energy: -66.406 tors. eta vs tors. theta energy: -43.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -896.381252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.381252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.381252 (E_RNA) where: Base-Base interactions energy: -350.991 where: short stacking energy: -318.209 Base-Backbone interact. energy: 4.092 local terms energy: -549.482075 where: bonds (distance) C4'-P energy: -137.778 bonds (distance) P-C4' energy: -167.390 flat angles C4'-P-C4' energy: -122.304 flat angles P-C4'-P energy: -92.344 tors. eta vs tors. theta energy: -29.666 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: 5 Temperature: 1.250000 Total energy: -863.247988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.247988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.247988 (E_RNA) where: Base-Base interactions energy: -344.727 where: short stacking energy: -285.689 Base-Backbone interact. energy: -0.569 local terms energy: -517.952079 where: bonds (distance) C4'-P energy: -130.846 bonds (distance) P-C4' energy: -160.192 flat angles C4'-P-C4' energy: -140.464 flat angles P-C4'-P energy: -63.939 tors. eta vs tors. theta energy: -22.512 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: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -750.830623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.830623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.830623 (E_RNA) where: Base-Base interactions energy: -273.505 where: short stacking energy: -270.545 Base-Backbone interact. energy: -0.325 local terms energy: -477.001169 where: bonds (distance) C4'-P energy: -149.621 bonds (distance) P-C4' energy: -134.936 flat angles C4'-P-C4' energy: -138.111 flat angles P-C4'-P energy: -51.606 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -705.587924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.587924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.587924 (E_RNA) where: Base-Base interactions energy: -223.749 where: short stacking energy: -195.432 Base-Backbone interact. energy: -2.211 local terms energy: -479.628634 where: bonds (distance) C4'-P energy: -139.936 bonds (distance) P-C4' energy: -171.809 flat angles C4'-P-C4' energy: -126.525 flat angles P-C4'-P energy: -77.354 tors. eta vs tors. theta energy: 35.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1619.102577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.102577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.102577 (E_RNA) where: Base-Base interactions energy: -741.952 where: short stacking energy: -692.915 Base-Backbone interact. energy: -1.155 local terms energy: -875.995090 where: bonds (distance) C4'-P energy: -173.773 bonds (distance) P-C4' energy: -183.546 flat angles C4'-P-C4' energy: -193.473 flat angles P-C4'-P energy: -135.313 tors. eta vs tors. theta energy: -189.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -1510.874227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.874227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.874227 (E_RNA) where: Base-Base interactions energy: -689.061 where: short stacking energy: -662.659 Base-Backbone interact. energy: 1.046 local terms energy: -822.859768 where: bonds (distance) C4'-P energy: -171.552 bonds (distance) P-C4' energy: -169.626 flat angles C4'-P-C4' energy: -179.481 flat angles P-C4'-P energy: -130.057 tors. eta vs tors. theta energy: -172.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -1371.105673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.105673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.105673 (E_RNA) where: Base-Base interactions energy: -633.415 where: short stacking energy: -535.822 Base-Backbone interact. energy: 0.213 local terms energy: -737.903611 where: bonds (distance) C4'-P energy: -165.564 bonds (distance) P-C4' energy: -186.736 flat angles C4'-P-C4' energy: -170.556 flat angles P-C4'-P energy: -88.287 tors. eta vs tors. theta energy: -126.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -1295.649367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.649367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.649367 (E_RNA) where: Base-Base interactions energy: -602.595 where: short stacking energy: -478.701 Base-Backbone interact. energy: -0.335 local terms energy: -692.719045 where: bonds (distance) C4'-P energy: -167.481 bonds (distance) P-C4' energy: -181.948 flat angles C4'-P-C4' energy: -171.628 flat angles P-C4'-P energy: -79.808 tors. eta vs tors. theta energy: -91.855 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: 6 Temperature: 1.100000 Total energy: -1133.255867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.255867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.255867 (E_RNA) where: Base-Base interactions energy: -482.394 where: short stacking energy: -402.608 Base-Backbone interact. energy: -1.178 local terms energy: -649.683768 where: bonds (distance) C4'-P energy: -165.156 bonds (distance) P-C4' energy: -173.407 flat angles C4'-P-C4' energy: -139.209 flat angles P-C4'-P energy: -97.292 tors. eta vs tors. theta energy: -74.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -1130.765136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.765136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.765136 (E_RNA) where: Base-Base interactions energy: -543.843 where: short stacking energy: -416.895 Base-Backbone interact. energy: -2.569 local terms energy: -584.353248 where: bonds (distance) C4'-P energy: -143.886 bonds (distance) P-C4' energy: -175.509 flat angles C4'-P-C4' energy: -143.727 flat angles P-C4'-P energy: -68.423 tors. eta vs tors. theta energy: -52.810 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: 8 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -1037.921268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.921268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.921268 (E_RNA) where: Base-Base interactions energy: -492.359 where: short stacking energy: -377.021 Base-Backbone interact. energy: 0.356 local terms energy: -545.918344 where: bonds (distance) C4'-P energy: -139.363 bonds (distance) P-C4' energy: -170.490 flat angles C4'-P-C4' energy: -130.939 flat angles P-C4'-P energy: -65.148 tors. eta vs tors. theta energy: -39.979 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: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -806.700829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.700829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.700829 (E_RNA) where: Base-Base interactions energy: -339.577 where: short stacking energy: -279.776 Base-Backbone interact. energy: 2.507 local terms energy: -469.630574 where: bonds (distance) C4'-P energy: -131.192 bonds (distance) P-C4' energy: -163.058 flat angles C4'-P-C4' energy: -111.108 flat angles P-C4'-P energy: -74.956 tors. eta vs tors. theta energy: 10.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -780.416056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.416056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.416056 (E_RNA) where: Base-Base interactions energy: -286.599 where: short stacking energy: -263.421 Base-Backbone interact. energy: -2.735 local terms energy: -491.082240 where: bonds (distance) C4'-P energy: -136.642 bonds (distance) P-C4' energy: -160.209 flat angles C4'-P-C4' energy: -89.708 flat angles P-C4'-P energy: -99.364 tors. eta vs tors. theta energy: -5.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -678.122807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.122807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.122807 (E_RNA) where: Base-Base interactions energy: -236.765 where: short stacking energy: -202.529 Base-Backbone interact. energy: -0.655 local terms energy: -440.703516 where: bonds (distance) C4'-P energy: -135.871 bonds (distance) P-C4' energy: -135.223 flat angles C4'-P-C4' energy: -125.732 flat angles P-C4'-P energy: -77.062 tors. eta vs tors. theta energy: 33.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1624.661904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.661904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.661904 (E_RNA) where: Base-Base interactions energy: -781.663 where: short stacking energy: -672.858 Base-Backbone interact. energy: 0.097 local terms energy: -843.095993 where: bonds (distance) C4'-P energy: -174.297 bonds (distance) P-C4' energy: -187.114 flat angles C4'-P-C4' energy: -184.557 flat angles P-C4'-P energy: -127.341 tors. eta vs tors. theta energy: -169.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1488.574909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.574909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.574909 (E_RNA) where: Base-Base interactions energy: -721.710 where: short stacking energy: -626.960 Base-Backbone interact. energy: -1.885 local terms energy: -764.979373 where: bonds (distance) C4'-P energy: -172.760 bonds (distance) P-C4' energy: -167.376 flat angles C4'-P-C4' energy: -164.868 flat angles P-C4'-P energy: -121.326 tors. eta vs tors. theta energy: -138.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -1385.651988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.651988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.651988 (E_RNA) where: Base-Base interactions energy: -617.874 where: short stacking energy: -528.696 Base-Backbone interact. energy: -1.010 local terms energy: -766.768338 where: bonds (distance) C4'-P energy: -171.098 bonds (distance) P-C4' energy: -181.321 flat angles C4'-P-C4' energy: -186.375 flat angles P-C4'-P energy: -107.420 tors. eta vs tors. theta energy: -120.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -1395.475484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.475484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.475484 (E_RNA) where: Base-Base interactions energy: -655.625 where: short stacking energy: -504.158 Base-Backbone interact. energy: -0.165 local terms energy: -739.686174 where: bonds (distance) C4'-P energy: -177.246 bonds (distance) P-C4' energy: -167.832 flat angles C4'-P-C4' energy: -184.717 flat angles P-C4'-P energy: -99.611 tors. eta vs tors. theta energy: -110.280 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: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -1139.066097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.066097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.066097 (E_RNA) where: Base-Base interactions energy: -490.961 where: short stacking energy: -428.265 Base-Backbone interact. energy: -1.842 local terms energy: -646.263592 where: bonds (distance) C4'-P energy: -168.218 bonds (distance) P-C4' energy: -166.816 flat angles C4'-P-C4' energy: -152.701 flat angles P-C4'-P energy: -103.807 tors. eta vs tors. theta energy: -54.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -1137.415468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.415468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.415468 (E_RNA) where: Base-Base interactions energy: -545.000 where: short stacking energy: -371.298 Base-Backbone interact. energy: 1.830 local terms energy: -594.245429 where: bonds (distance) C4'-P energy: -147.883 bonds (distance) P-C4' energy: -169.830 flat angles C4'-P-C4' energy: -148.717 flat angles P-C4'-P energy: -94.133 tors. eta vs tors. theta energy: -33.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -1100.974916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.974916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.974916 (E_RNA) where: Base-Base interactions energy: -499.915 where: short stacking energy: -337.735 Base-Backbone interact. energy: -3.586 local terms energy: -597.473839 where: bonds (distance) C4'-P energy: -173.219 bonds (distance) P-C4' energy: -162.526 flat angles C4'-P-C4' energy: -155.657 flat angles P-C4'-P energy: -74.732 tors. eta vs tors. theta energy: -31.339 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: 7 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -836.026754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.026754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.026754 (E_RNA) where: Base-Base interactions energy: -280.057 where: short stacking energy: -250.957 Base-Backbone interact. energy: -1.818 local terms energy: -554.151576 where: bonds (distance) C4'-P energy: -157.219 bonds (distance) P-C4' energy: -166.649 flat angles C4'-P-C4' energy: -137.947 flat angles P-C4'-P energy: -86.162 tors. eta vs tors. theta energy: -6.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -847.286423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.286423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.286423 (E_RNA) where: Base-Base interactions energy: -319.843 where: short stacking energy: -225.867 Base-Backbone interact. energy: -1.653 local terms energy: -525.790745 where: bonds (distance) C4'-P energy: -127.468 bonds (distance) P-C4' energy: -154.946 flat angles C4'-P-C4' energy: -152.490 flat angles P-C4'-P energy: -85.962 tors. eta vs tors. theta energy: -4.925 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: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -710.909402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.909402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.909402 (E_RNA) where: Base-Base interactions energy: -240.871 where: short stacking energy: -212.732 Base-Backbone interact. energy: 2.292 local terms energy: -472.330214 where: bonds (distance) C4'-P energy: -122.732 bonds (distance) P-C4' energy: -157.598 flat angles C4'-P-C4' energy: -115.377 flat angles P-C4'-P energy: -101.408 tors. eta vs tors. theta energy: 24.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1661.622804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.622804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.622804 (E_RNA) where: Base-Base interactions energy: -824.916 where: short stacking energy: -679.020 Base-Backbone interact. energy: -1.633 local terms energy: -835.073703 where: bonds (distance) C4'-P energy: -191.477 bonds (distance) P-C4' energy: -189.362 flat angles C4'-P-C4' energy: -186.618 flat angles P-C4'-P energy: -106.261 tors. eta vs tors. theta energy: -161.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -1529.946081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.946081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.946081 (E_RNA) where: Base-Base interactions energy: -772.577 where: short stacking energy: -617.193 Base-Backbone interact. energy: -1.273 local terms energy: -756.095966 where: bonds (distance) C4'-P energy: -163.228 bonds (distance) P-C4' energy: -168.486 flat angles C4'-P-C4' energy: -178.554 flat angles P-C4'-P energy: -107.283 tors. eta vs tors. theta energy: -138.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1345.561241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.561241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.561241 (E_RNA) where: Base-Base interactions energy: -615.008 where: short stacking energy: -532.586 Base-Backbone interact. energy: -0.596 local terms energy: -729.957536 where: bonds (distance) C4'-P energy: -168.699 bonds (distance) P-C4' energy: -158.295 flat angles C4'-P-C4' energy: -178.991 flat angles P-C4'-P energy: -109.454 tors. eta vs tors. theta energy: -114.518 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: 8 Temperature: 1.050000 Total energy: -1386.792837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.792837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.792837 (E_RNA) where: Base-Base interactions energy: -670.566 where: short stacking energy: -485.864 Base-Backbone interact. energy: 0.448 local terms energy: -716.674732 where: bonds (distance) C4'-P energy: -154.708 bonds (distance) P-C4' energy: -186.790 flat angles C4'-P-C4' energy: -186.418 flat angles P-C4'-P energy: -86.740 tors. eta vs tors. theta energy: -102.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -1172.654157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.654157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.654157 (E_RNA) where: Base-Base interactions energy: -542.558 where: short stacking energy: -423.790 Base-Backbone interact. energy: -2.227 local terms energy: -627.868938 where: bonds (distance) C4'-P energy: -153.474 bonds (distance) P-C4' energy: -176.259 flat angles C4'-P-C4' energy: -149.102 flat angles P-C4'-P energy: -110.528 tors. eta vs tors. theta energy: -38.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -1111.355629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.355629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.355629 (E_RNA) where: Base-Base interactions energy: -504.900 where: short stacking energy: -374.675 Base-Backbone interact. energy: -0.307 local terms energy: -606.148538 where: bonds (distance) C4'-P energy: -157.836 bonds (distance) P-C4' energy: -170.281 flat angles C4'-P-C4' energy: -138.458 flat angles P-C4'-P energy: -80.749 tors. eta vs tors. theta energy: -58.824 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: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -1115.313251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.313251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.313251 (E_RNA) where: Base-Base interactions energy: -525.326 where: short stacking energy: -352.104 Base-Backbone interact. energy: -3.300 local terms energy: -586.686751 where: bonds (distance) C4'-P energy: -125.497 bonds (distance) P-C4' energy: -154.721 flat angles C4'-P-C4' energy: -158.016 flat angles P-C4'-P energy: -102.708 tors. eta vs tors. theta energy: -45.745 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: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -870.962847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.962847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.962847 (E_RNA) where: Base-Base interactions energy: -354.630 where: short stacking energy: -276.295 Base-Backbone interact. energy: -0.032 local terms energy: -516.301619 where: bonds (distance) C4'-P energy: -129.356 bonds (distance) P-C4' energy: -161.610 flat angles C4'-P-C4' energy: -143.654 flat angles P-C4'-P energy: -77.206 tors. eta vs tors. theta energy: -4.476 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: 10 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -777.789028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.789028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.789028 (E_RNA) where: Base-Base interactions energy: -265.583 where: short stacking energy: -248.586 Base-Backbone interact. energy: 4.242 local terms energy: -516.448074 where: bonds (distance) C4'-P energy: -160.689 bonds (distance) P-C4' energy: -156.649 flat angles C4'-P-C4' energy: -142.002 flat angles P-C4'-P energy: -75.768 tors. eta vs tors. theta energy: 18.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -759.625561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.625561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.625561 (E_RNA) where: Base-Base interactions energy: -305.053 where: short stacking energy: -232.918 Base-Backbone interact. energy: 6.370 local terms energy: -460.943043 where: bonds (distance) C4'-P energy: -142.335 bonds (distance) P-C4' energy: -148.737 flat angles C4'-P-C4' energy: -127.576 flat angles P-C4'-P energy: -61.116 tors. eta vs tors. theta energy: 18.821 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: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1762.599901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.599901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.599901 (E_RNA) where: Base-Base interactions energy: -902.621 where: short stacking energy: -727.793 Base-Backbone interact. energy: -0.747 local terms energy: -859.232119 where: bonds (distance) C4'-P energy: -168.137 bonds (distance) P-C4' energy: -196.690 flat angles C4'-P-C4' energy: -193.870 flat angles P-C4'-P energy: -115.859 tors. eta vs tors. theta energy: -184.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1628.634531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.634531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.634531 (E_RNA) where: Base-Base interactions energy: -819.821 where: short stacking energy: -627.107 Base-Backbone interact. energy: -0.935 local terms energy: -807.877864 where: bonds (distance) C4'-P energy: -172.919 bonds (distance) P-C4' energy: -171.694 flat angles C4'-P-C4' energy: -189.923 flat angles P-C4'-P energy: -109.135 tors. eta vs tors. theta energy: -164.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1362.595069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.595069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.595069 (E_RNA) where: Base-Base interactions energy: -664.318 where: short stacking energy: -510.490 Base-Backbone interact. energy: 0.541 local terms energy: -698.818459 where: bonds (distance) C4'-P energy: -169.861 bonds (distance) P-C4' energy: -164.149 flat angles C4'-P-C4' energy: -165.603 flat angles P-C4'-P energy: -93.390 tors. eta vs tors. theta energy: -105.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -1452.539665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.539665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.539665 (E_RNA) where: Base-Base interactions energy: -717.419 where: short stacking energy: -526.095 Base-Backbone interact. energy: -1.446 local terms energy: -733.674476 where: bonds (distance) C4'-P energy: -173.556 bonds (distance) P-C4' energy: -177.963 flat angles C4'-P-C4' energy: -163.400 flat angles P-C4'-P energy: -110.601 tors. eta vs tors. theta energy: -108.153 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: 9 Temperature: 1.100000 Total energy: -1179.868161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.868161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.868161 (E_RNA) where: Base-Base interactions energy: -575.843 where: short stacking energy: -435.417 Base-Backbone interact. energy: 1.150 local terms energy: -605.175222 where: bonds (distance) C4'-P energy: -141.569 bonds (distance) P-C4' energy: -175.396 flat angles C4'-P-C4' energy: -134.519 flat angles P-C4'-P energy: -99.103 tors. eta vs tors. theta energy: -54.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -1171.475783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.475783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.475783 (E_RNA) where: Base-Base interactions energy: -590.141 where: short stacking energy: -422.433 Base-Backbone interact. energy: 4.407 local terms energy: -585.741209 where: bonds (distance) C4'-P energy: -151.455 bonds (distance) P-C4' energy: -158.081 flat angles C4'-P-C4' energy: -137.847 flat angles P-C4'-P energy: -91.364 tors. eta vs tors. theta energy: -46.994 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: 8 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -1159.047520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.047520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.047520 (E_RNA) where: Base-Base interactions energy: -564.472 where: short stacking energy: -358.738 Base-Backbone interact. energy: 2.841 local terms energy: -597.417339 where: bonds (distance) C4'-P energy: -148.840 bonds (distance) P-C4' energy: -160.024 flat angles C4'-P-C4' energy: -147.305 flat angles P-C4'-P energy: -100.201 tors. eta vs tors. theta energy: -41.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -922.589586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.589586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.589586 (E_RNA) where: Base-Base interactions energy: -388.337 where: short stacking energy: -291.242 Base-Backbone interact. energy: -2.544 local terms energy: -531.708871 where: bonds (distance) C4'-P energy: -155.345 bonds (distance) P-C4' energy: -159.094 flat angles C4'-P-C4' energy: -121.406 flat angles P-C4'-P energy: -74.213 tors. eta vs tors. theta energy: -21.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -739.194548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.194548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.194548 (E_RNA) where: Base-Base interactions energy: -276.962 where: short stacking energy: -216.054 Base-Backbone interact. energy: -1.543 local terms energy: -460.689730 where: bonds (distance) C4'-P energy: -125.170 bonds (distance) P-C4' energy: -154.862 flat angles C4'-P-C4' energy: -121.386 flat angles P-C4'-P energy: -81.530 tors. eta vs tors. theta energy: 22.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -721.575674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.575674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.575674 (E_RNA) where: Base-Base interactions energy: -281.235 where: short stacking energy: -221.738 Base-Backbone interact. energy: 1.959 local terms energy: -442.300009 where: bonds (distance) C4'-P energy: -149.603 bonds (distance) P-C4' energy: -154.814 flat angles C4'-P-C4' energy: -129.742 flat angles P-C4'-P energy: -42.733 tors. eta vs tors. theta energy: 34.593 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: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1772.078755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.078755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.078755 (E_RNA) where: Base-Base interactions energy: -935.142 where: short stacking energy: -713.644 Base-Backbone interact. energy: 2.582 local terms energy: -839.518575 where: bonds (distance) C4'-P energy: -176.946 bonds (distance) P-C4' energy: -191.521 flat angles C4'-P-C4' energy: -188.818 flat angles P-C4'-P energy: -109.883 tors. eta vs tors. theta energy: -172.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1713.009996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.009996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.009996 (E_RNA) where: Base-Base interactions energy: -906.561 where: short stacking energy: -638.204 Base-Backbone interact. energy: -1.995 local terms energy: -804.453763 where: bonds (distance) C4'-P energy: -178.056 bonds (distance) P-C4' energy: -182.457 flat angles C4'-P-C4' energy: -174.474 flat angles P-C4'-P energy: -120.941 tors. eta vs tors. theta energy: -148.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1595.099003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.099003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.099003 (E_RNA) where: Base-Base interactions energy: -824.542 where: short stacking energy: -549.768 Base-Backbone interact. energy: -0.647 local terms energy: -769.909826 where: bonds (distance) C4'-P energy: -167.158 bonds (distance) P-C4' energy: -193.866 flat angles C4'-P-C4' energy: -192.253 flat angles P-C4'-P energy: -101.476 tors. eta vs tors. theta energy: -115.158 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: 2 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -1368.075181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.075181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.075181 (E_RNA) where: Base-Base interactions energy: -672.974 where: short stacking energy: -516.027 Base-Backbone interact. energy: 0.693 local terms energy: -695.794755 where: bonds (distance) C4'-P energy: -148.044 bonds (distance) P-C4' energy: -165.527 flat angles C4'-P-C4' energy: -181.288 flat angles P-C4'-P energy: -112.790 tors. eta vs tors. theta energy: -88.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1393.906953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.906953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.906953 (E_RNA) where: Base-Base interactions energy: -726.059 where: short stacking energy: -482.338 Base-Backbone interact. energy: 0.692 local terms energy: -668.539191 where: bonds (distance) C4'-P energy: -156.785 bonds (distance) P-C4' energy: -179.727 flat angles C4'-P-C4' energy: -168.046 flat angles P-C4'-P energy: -90.145 tors. eta vs tors. theta energy: -73.837 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: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -1114.328208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.328208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.328208 (E_RNA) where: Base-Base interactions energy: -539.990 where: short stacking energy: -351.995 Base-Backbone interact. energy: 0.472 local terms energy: -574.810515 where: bonds (distance) C4'-P energy: -160.990 bonds (distance) P-C4' energy: -170.520 flat angles C4'-P-C4' energy: -132.656 flat angles P-C4'-P energy: -83.954 tors. eta vs tors. theta energy: -26.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -1181.211573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.211573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.211573 (E_RNA) where: Base-Base interactions energy: -594.477 where: short stacking energy: -365.456 Base-Backbone interact. energy: 2.974 local terms energy: -589.708791 where: bonds (distance) C4'-P energy: -142.177 bonds (distance) P-C4' energy: -166.127 flat angles C4'-P-C4' energy: -150.925 flat angles P-C4'-P energy: -87.635 tors. eta vs tors. theta energy: -42.845 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: 7 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -990.151203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.151203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.151203 (E_RNA) where: Base-Base interactions energy: -488.053 where: short stacking energy: -352.576 Base-Backbone interact. energy: 9.870 local terms energy: -511.968641 where: bonds (distance) C4'-P energy: -143.514 bonds (distance) P-C4' energy: -150.981 flat angles C4'-P-C4' energy: -113.554 flat angles P-C4'-P energy: -87.006 tors. eta vs tors. theta energy: -16.913 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: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -814.134383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.134383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.134383 (E_RNA) where: Base-Base interactions energy: -294.628 where: short stacking energy: -241.507 Base-Backbone interact. energy: -3.151 local terms energy: -516.356063 where: bonds (distance) C4'-P energy: -150.770 bonds (distance) P-C4' energy: -166.468 flat angles C4'-P-C4' energy: -128.896 flat angles P-C4'-P energy: -82.259 tors. eta vs tors. theta energy: 12.038 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: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -707.302103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.302103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.302103 (E_RNA) where: Base-Base interactions energy: -246.629 where: short stacking energy: -211.592 Base-Backbone interact. energy: -1.577 local terms energy: -459.096088 where: bonds (distance) C4'-P energy: -149.200 bonds (distance) P-C4' energy: -147.401 flat angles C4'-P-C4' energy: -125.351 flat angles P-C4'-P energy: -66.956 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: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1787.106868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.106868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.106868 (E_RNA) where: Base-Base interactions energy: -952.469 where: short stacking energy: -660.554 Base-Backbone interact. energy: 1.334 local terms energy: -835.971250 where: bonds (distance) C4'-P energy: -166.014 bonds (distance) P-C4' energy: -170.234 flat angles C4'-P-C4' energy: -189.560 flat angles P-C4'-P energy: -136.354 tors. eta vs tors. theta energy: -173.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1783.551423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.551423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.551423 (E_RNA) where: Base-Base interactions energy: -948.997 where: short stacking energy: -672.325 Base-Backbone interact. energy: 2.814 local terms energy: -837.368843 where: bonds (distance) C4'-P energy: -170.312 bonds (distance) P-C4' energy: -177.998 flat angles C4'-P-C4' energy: -200.788 flat angles P-C4'-P energy: -127.786 tors. eta vs tors. theta energy: -160.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1628.078356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.078356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.078356 (E_RNA) where: Base-Base interactions energy: -868.076 where: short stacking energy: -580.822 Base-Backbone interact. energy: 0.184 local terms energy: -760.185982 where: bonds (distance) C4'-P energy: -160.038 bonds (distance) P-C4' energy: -164.606 flat angles C4'-P-C4' energy: -177.636 flat angles P-C4'-P energy: -121.166 tors. eta vs tors. theta energy: -136.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1638.905432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.905432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.905432 (E_RNA) where: Base-Base interactions energy: -899.114 where: short stacking energy: -602.085 Base-Backbone interact. energy: -2.330 local terms energy: -737.461923 where: bonds (distance) C4'-P energy: -161.082 bonds (distance) P-C4' energy: -159.697 flat angles C4'-P-C4' energy: -186.938 flat angles P-C4'-P energy: -91.966 tors. eta vs tors. theta energy: -137.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -1233.257836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.257836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.257836 (E_RNA) where: Base-Base interactions energy: -601.197 where: short stacking energy: -447.526 Base-Backbone interact. energy: 0.774 local terms energy: -632.835307 where: bonds (distance) C4'-P energy: -156.491 bonds (distance) P-C4' energy: -172.013 flat angles C4'-P-C4' energy: -177.042 flat angles P-C4'-P energy: -63.909 tors. eta vs tors. theta energy: -63.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -1405.788973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.788973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.788973 (E_RNA) where: Base-Base interactions energy: -790.230 where: short stacking energy: -459.755 Base-Backbone interact. energy: 9.497 local terms energy: -625.056461 where: bonds (distance) C4'-P energy: -137.544 bonds (distance) P-C4' energy: -168.547 flat angles C4'-P-C4' energy: -158.425 flat angles P-C4'-P energy: -75.674 tors. eta vs tors. theta energy: -84.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -1000.213036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.213036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.213036 (E_RNA) where: Base-Base interactions energy: -434.757 where: short stacking energy: -312.407 Base-Backbone interact. energy: -1.327 local terms energy: -564.129234 where: bonds (distance) C4'-P energy: -152.044 bonds (distance) P-C4' energy: -165.198 flat angles C4'-P-C4' energy: -163.867 flat angles P-C4'-P energy: -76.041 tors. eta vs tors. theta energy: -6.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -1061.726367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.726367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.726367 (E_RNA) where: Base-Base interactions energy: -513.683 where: short stacking energy: -319.985 Base-Backbone interact. energy: 1.814 local terms energy: -549.857413 where: bonds (distance) C4'-P energy: -138.212 bonds (distance) P-C4' energy: -158.933 flat angles C4'-P-C4' energy: -146.613 flat angles P-C4'-P energy: -85.735 tors. eta vs tors. theta energy: -20.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -850.160820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.160820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.160820 (E_RNA) where: Base-Base interactions energy: -362.126 where: short stacking energy: -217.948 Base-Backbone interact. energy: 5.166 local terms energy: -493.200803 where: bonds (distance) C4'-P energy: -147.302 bonds (distance) P-C4' energy: -170.382 flat angles C4'-P-C4' energy: -129.315 flat angles P-C4'-P energy: -72.956 tors. eta vs tors. theta energy: 26.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -679.097030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.097030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.097030 (E_RNA) where: Base-Base interactions energy: -211.463 where: short stacking energy: -196.518 Base-Backbone interact. energy: 7.441 local terms energy: -475.075256 where: bonds (distance) C4'-P energy: -153.214 bonds (distance) P-C4' energy: -160.726 flat angles C4'-P-C4' energy: -111.649 flat angles P-C4'-P energy: -75.491 tors. eta vs tors. theta energy: 26.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1831.856478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.856478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.856478 (E_RNA) where: Base-Base interactions energy: -990.606 where: short stacking energy: -666.467 Base-Backbone interact. energy: -2.440 local terms energy: -838.810384 where: bonds (distance) C4'-P energy: -179.800 bonds (distance) P-C4' energy: -175.486 flat angles C4'-P-C4' energy: -182.326 flat angles P-C4'-P energy: -127.026 tors. eta vs tors. theta energy: -174.173 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: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1773.513164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.513164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.513164 (E_RNA) where: Base-Base interactions energy: -954.909 where: short stacking energy: -671.004 Base-Backbone interact. energy: 0.359 local terms energy: -818.963373 where: bonds (distance) C4'-P energy: -186.486 bonds (distance) P-C4' energy: -176.240 flat angles C4'-P-C4' energy: -199.548 flat angles P-C4'-P energy: -115.957 tors. eta vs tors. theta energy: -140.733 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: 5 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1699.429449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.429449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.429449 (E_RNA) where: Base-Base interactions energy: -920.310 where: short stacking energy: -594.005 Base-Backbone interact. energy: 1.190 local terms energy: -780.309380 where: bonds (distance) C4'-P energy: -178.080 bonds (distance) P-C4' energy: -157.887 flat angles C4'-P-C4' energy: -185.346 flat angles P-C4'-P energy: -106.156 tors. eta vs tors. theta energy: -152.840 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: 6 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1611.354159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.354159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.354159 (E_RNA) where: Base-Base interactions energy: -868.386 where: short stacking energy: -565.355 Base-Backbone interact. energy: -2.111 local terms energy: -740.856893 where: bonds (distance) C4'-P energy: -162.961 bonds (distance) P-C4' energy: -157.908 flat angles C4'-P-C4' energy: -188.668 flat angles P-C4'-P energy: -100.532 tors. eta vs tors. theta energy: -130.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -1618.188423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.188423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.188423 (E_RNA) where: Base-Base interactions energy: -896.250 where: short stacking energy: -515.885 Base-Backbone interact. energy: -0.377 local terms energy: -721.562286 where: bonds (distance) C4'-P energy: -156.215 bonds (distance) P-C4' energy: -159.897 flat angles C4'-P-C4' energy: -171.261 flat angles P-C4'-P energy: -114.661 tors. eta vs tors. theta energy: -119.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -1074.330950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.330950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.330950 (E_RNA) where: Base-Base interactions energy: -466.559 where: short stacking energy: -363.087 Base-Backbone interact. energy: 2.842 local terms energy: -610.614151 where: bonds (distance) C4'-P energy: -168.880 bonds (distance) P-C4' energy: -178.286 flat angles C4'-P-C4' energy: -122.587 flat angles P-C4'-P energy: -94.520 tors. eta vs tors. theta energy: -46.341 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: 4 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -1060.549200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.549200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.549200 (E_RNA) where: Base-Base interactions energy: -517.194 where: short stacking energy: -340.607 Base-Backbone interact. energy: -1.950 local terms energy: -541.405274 where: bonds (distance) C4'-P energy: -137.449 bonds (distance) P-C4' energy: -149.844 flat angles C4'-P-C4' energy: -131.398 flat angles P-C4'-P energy: -106.747 tors. eta vs tors. theta energy: -15.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -1048.375244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.375244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.375244 (E_RNA) where: Base-Base interactions energy: -539.186 where: short stacking energy: -320.238 Base-Backbone interact. energy: -0.509 local terms energy: -508.680511 where: bonds (distance) C4'-P energy: -139.603 bonds (distance) P-C4' energy: -152.331 flat angles C4'-P-C4' energy: -114.130 flat angles P-C4'-P energy: -72.803 tors. eta vs tors. theta energy: -29.812 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: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -887.204921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.204921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.204921 (E_RNA) where: Base-Base interactions energy: -409.007 where: short stacking energy: -253.768 Base-Backbone interact. energy: 1.340 local terms energy: -479.538523 where: bonds (distance) C4'-P energy: -135.580 bonds (distance) P-C4' energy: -143.157 flat angles C4'-P-C4' energy: -140.611 flat angles P-C4'-P energy: -59.737 tors. eta vs tors. theta energy: -0.454 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: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -692.946474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.946474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.946474 (E_RNA) where: Base-Base interactions energy: -243.275 where: short stacking energy: -213.760 Base-Backbone interact. energy: 7.803 local terms energy: -457.474069 where: bonds (distance) C4'-P energy: -132.195 bonds (distance) P-C4' energy: -150.719 flat angles C4'-P-C4' energy: -145.017 flat angles P-C4'-P energy: -63.160 tors. eta vs tors. theta energy: 33.618 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: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1898.956810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.956810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.956810 (E_RNA) where: Base-Base interactions energy: -1082.200 where: short stacking energy: -734.018 Base-Backbone interact. energy: 0.368 local terms energy: -817.125294 where: bonds (distance) C4'-P energy: -159.463 bonds (distance) P-C4' energy: -182.892 flat angles C4'-P-C4' energy: -192.225 flat angles P-C4'-P energy: -113.728 tors. eta vs tors. theta energy: -168.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1788.887031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.887031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.887031 (E_RNA) where: Base-Base interactions energy: -957.220 where: short stacking energy: -701.028 Base-Backbone interact. energy: 1.878 local terms energy: -833.544652 where: bonds (distance) C4'-P energy: -175.350 bonds (distance) P-C4' energy: -166.148 flat angles C4'-P-C4' energy: -177.624 flat angles P-C4'-P energy: -126.334 tors. eta vs tors. theta energy: -188.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1689.830684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.830684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.830684 (E_RNA) where: Base-Base interactions energy: -929.012 where: short stacking energy: -601.504 Base-Backbone interact. energy: 1.646 local terms energy: -762.464716 where: bonds (distance) C4'-P energy: -164.068 bonds (distance) P-C4' energy: -168.059 flat angles C4'-P-C4' energy: -177.293 flat angles P-C4'-P energy: -117.767 tors. eta vs tors. theta energy: -135.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1808.236792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.236792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.236792 (E_RNA) where: Base-Base interactions energy: -1067.609 where: short stacking energy: -592.408 Base-Backbone interact. energy: -2.344 local terms energy: -738.283799 where: bonds (distance) C4'-P energy: -163.058 bonds (distance) P-C4' energy: -180.682 flat angles C4'-P-C4' energy: -169.086 flat angles P-C4'-P energy: -98.558 tors. eta vs tors. theta energy: -126.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1572.185133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.185133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.185133 (E_RNA) where: Base-Base interactions energy: -906.181 where: short stacking energy: -545.939 Base-Backbone interact. energy: -5.296 local terms energy: -660.708352 where: bonds (distance) C4'-P energy: -147.633 bonds (distance) P-C4' energy: -151.644 flat angles C4'-P-C4' energy: -159.347 flat angles P-C4'-P energy: -93.308 tors. eta vs tors. theta energy: -108.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -1058.929203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.929203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.929203 (E_RNA) where: Base-Base interactions energy: -461.049 where: short stacking energy: -354.441 Base-Backbone interact. energy: -1.353 local terms energy: -596.527880 where: bonds (distance) C4'-P energy: -145.077 bonds (distance) P-C4' energy: -177.927 flat angles C4'-P-C4' energy: -158.857 flat angles P-C4'-P energy: -74.294 tors. eta vs tors. theta energy: -40.373 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: 4 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -1035.498468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.498468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.498468 (E_RNA) where: Base-Base interactions energy: -491.390 where: short stacking energy: -329.824 Base-Backbone interact. energy: -2.867 local terms energy: -541.241618 where: bonds (distance) C4'-P energy: -151.460 bonds (distance) P-C4' energy: -164.947 flat angles C4'-P-C4' energy: -128.985 flat angles P-C4'-P energy: -72.457 tors. eta vs tors. theta energy: -23.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -1104.349823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.349823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.349823 (E_RNA) where: Base-Base interactions energy: -570.113 where: short stacking energy: -356.544 Base-Backbone interact. energy: 2.075 local terms energy: -536.312641 where: bonds (distance) C4'-P energy: -147.604 bonds (distance) P-C4' energy: -147.436 flat angles C4'-P-C4' energy: -129.364 flat angles P-C4'-P energy: -88.258 tors. eta vs tors. theta energy: -23.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -910.558576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.558576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.558576 (E_RNA) where: Base-Base interactions energy: -382.453 where: short stacking energy: -254.650 Base-Backbone interact. energy: 2.626 local terms energy: -530.731523 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -159.091 flat angles C4'-P-C4' energy: -129.339 flat angles P-C4'-P energy: -83.337 tors. eta vs tors. theta energy: -12.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -715.350165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.350165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.350165 (E_RNA) where: Base-Base interactions energy: -262.340 where: short stacking energy: -197.469 Base-Backbone interact. energy: 1.637 local terms energy: -454.647635 where: bonds (distance) C4'-P energy: -150.319 bonds (distance) P-C4' energy: -164.570 flat angles C4'-P-C4' energy: -102.376 flat angles P-C4'-P energy: -89.585 tors. eta vs tors. theta energy: 52.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1925.352517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.352517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.352517 (E_RNA) where: Base-Base interactions energy: -1071.816 where: short stacking energy: -690.624 Base-Backbone interact. energy: -1.676 local terms energy: -851.860601 where: bonds (distance) C4'-P energy: -166.069 bonds (distance) P-C4' energy: -196.229 flat angles C4'-P-C4' energy: -191.922 flat angles P-C4'-P energy: -135.693 tors. eta vs tors. theta energy: -161.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1744.867341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.867341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.867341 (E_RNA) where: Base-Base interactions energy: -923.037 where: short stacking energy: -677.699 Base-Backbone interact. energy: 0.657 local terms energy: -822.487282 where: bonds (distance) C4'-P energy: -175.432 bonds (distance) P-C4' energy: -171.812 flat angles C4'-P-C4' energy: -195.087 flat angles P-C4'-P energy: -116.545 tors. eta vs tors. theta energy: -163.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1975.577492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.577492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.577492 (E_RNA) where: Base-Base interactions energy: -1198.289 where: short stacking energy: -658.553 Base-Backbone interact. energy: -3.982 local terms energy: -773.306481 where: bonds (distance) C4'-P energy: -150.369 bonds (distance) P-C4' energy: -188.203 flat angles C4'-P-C4' energy: -178.850 flat angles P-C4'-P energy: -109.853 tors. eta vs tors. theta energy: -146.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1562.502537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.502537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.502537 (E_RNA) where: Base-Base interactions energy: -823.112 where: short stacking energy: -519.269 Base-Backbone interact. energy: -4.654 local terms energy: -734.735942 where: bonds (distance) C4'-P energy: -167.817 bonds (distance) P-C4' energy: -185.080 flat angles C4'-P-C4' energy: -163.092 flat angles P-C4'-P energy: -99.390 tors. eta vs tors. theta energy: -119.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1601.608490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.608490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.608490 (E_RNA) where: Base-Base interactions energy: -902.189 where: short stacking energy: -532.991 Base-Backbone interact. energy: -2.129 local terms energy: -697.290077 where: bonds (distance) C4'-P energy: -168.936 bonds (distance) P-C4' energy: -150.053 flat angles C4'-P-C4' energy: -157.727 flat angles P-C4'-P energy: -120.144 tors. eta vs tors. theta energy: -100.430 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: 6, replica: 2 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -1131.085721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.085721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.085721 (E_RNA) where: Base-Base interactions energy: -524.190 where: short stacking energy: -405.179 Base-Backbone interact. energy: 0.105 local terms energy: -607.000390 where: bonds (distance) C4'-P energy: -155.594 bonds (distance) P-C4' energy: -160.769 flat angles C4'-P-C4' energy: -148.346 flat angles P-C4'-P energy: -84.722 tors. eta vs tors. theta energy: -57.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -1126.352942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.352942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.352942 (E_RNA) where: Base-Base interactions energy: -548.647 where: short stacking energy: -358.586 Base-Backbone interact. energy: 2.272 local terms energy: -579.977678 where: bonds (distance) C4'-P energy: -127.316 bonds (distance) P-C4' energy: -155.817 flat angles C4'-P-C4' energy: -165.425 flat angles P-C4'-P energy: -83.020 tors. eta vs tors. theta energy: -48.399 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: 7 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -1090.442852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.442852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.442852 (E_RNA) where: Base-Base interactions energy: -534.303 where: short stacking energy: -338.239 Base-Backbone interact. energy: -2.170 local terms energy: -553.969060 where: bonds (distance) C4'-P energy: -150.567 bonds (distance) P-C4' energy: -166.589 flat angles C4'-P-C4' energy: -123.673 flat angles P-C4'-P energy: -93.992 tors. eta vs tors. theta energy: -19.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -935.224261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.224261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.224261 (E_RNA) where: Base-Base interactions energy: -413.939 where: short stacking energy: -278.183 Base-Backbone interact. energy: 6.010 local terms energy: -527.295066 where: bonds (distance) C4'-P energy: -162.572 bonds (distance) P-C4' energy: -137.631 flat angles C4'-P-C4' energy: -139.542 flat angles P-C4'-P energy: -73.532 tors. eta vs tors. theta energy: -14.018 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: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -715.469014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.469014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.469014 (E_RNA) where: Base-Base interactions energy: -234.827 where: short stacking energy: -224.051 Base-Backbone interact. energy: 0.660 local terms energy: -481.302230 where: bonds (distance) C4'-P energy: -130.795 bonds (distance) P-C4' energy: -179.311 flat angles C4'-P-C4' energy: -88.289 flat angles P-C4'-P energy: -76.818 tors. eta vs tors. theta energy: -6.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1934.428310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.428310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.428310 (E_RNA) where: Base-Base interactions energy: -1095.677 where: short stacking energy: -712.003 Base-Backbone interact. energy: -4.900 local terms energy: -833.851123 where: bonds (distance) C4'-P energy: -172.881 bonds (distance) P-C4' energy: -188.025 flat angles C4'-P-C4' energy: -182.806 flat angles P-C4'-P energy: -115.156 tors. eta vs tors. theta energy: -174.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -2109.423681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.423681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.423681 (E_RNA) where: Base-Base interactions energy: -1285.285 where: short stacking energy: -690.478 Base-Backbone interact. energy: -1.551 local terms energy: -822.587866 where: bonds (distance) C4'-P energy: -170.008 bonds (distance) P-C4' energy: -195.024 flat angles C4'-P-C4' energy: -176.711 flat angles P-C4'-P energy: -109.587 tors. eta vs tors. theta energy: -171.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1628.988669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.988669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.988669 (E_RNA) where: Base-Base interactions energy: -837.379 where: short stacking energy: -579.425 Base-Backbone interact. energy: 2.666 local terms energy: -794.275425 where: bonds (distance) C4'-P energy: -163.731 bonds (distance) P-C4' energy: -189.134 flat angles C4'-P-C4' energy: -185.898 flat angles P-C4'-P energy: -120.464 tors. eta vs tors. theta energy: -135.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1629.339126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.339126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.339126 (E_RNA) where: Base-Base interactions energy: -891.563 where: short stacking energy: -553.639 Base-Backbone interact. energy: -1.309 local terms energy: -736.466373 where: bonds (distance) C4'-P energy: -166.360 bonds (distance) P-C4' energy: -176.385 flat angles C4'-P-C4' energy: -178.685 flat angles P-C4'-P energy: -102.101 tors. eta vs tors. theta energy: -112.934 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: 6 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1687.990689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.990689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.990689 (E_RNA) where: Base-Base interactions energy: -960.681 where: short stacking energy: -530.560 Base-Backbone interact. energy: 2.547 local terms energy: -729.856751 where: bonds (distance) C4'-P energy: -172.898 bonds (distance) P-C4' energy: -181.595 flat angles C4'-P-C4' energy: -168.492 flat angles P-C4'-P energy: -93.465 tors. eta vs tors. theta energy: -113.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -1213.891994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.891994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.891994 (E_RNA) where: Base-Base interactions energy: -607.736 where: short stacking energy: -399.314 Base-Backbone interact. energy: -2.553 local terms energy: -603.602898 where: bonds (distance) C4'-P energy: -148.583 bonds (distance) P-C4' energy: -157.980 flat angles C4'-P-C4' energy: -139.044 flat angles P-C4'-P energy: -116.740 tors. eta vs tors. theta energy: -41.256 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: 4 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -1110.602638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.602638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.602638 (E_RNA) where: Base-Base interactions energy: -549.402 where: short stacking energy: -339.602 Base-Backbone interact. energy: -0.833 local terms energy: -560.367716 where: bonds (distance) C4'-P energy: -133.833 bonds (distance) P-C4' energy: -162.605 flat angles C4'-P-C4' energy: -148.210 flat angles P-C4'-P energy: -78.708 tors. eta vs tors. theta energy: -37.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -1081.245074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.245074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.245074 (E_RNA) where: Base-Base interactions energy: -541.776 where: short stacking energy: -321.749 Base-Backbone interact. energy: 1.488 local terms energy: -540.956690 where: bonds (distance) C4'-P energy: -139.039 bonds (distance) P-C4' energy: -160.271 flat angles C4'-P-C4' energy: -115.257 flat angles P-C4'-P energy: -96.335 tors. eta vs tors. theta energy: -30.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -960.321430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.321430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.321430 (E_RNA) where: Base-Base interactions energy: -466.191 where: short stacking energy: -267.307 Base-Backbone interact. energy: -1.093 local terms energy: -493.037489 where: bonds (distance) C4'-P energy: -151.091 bonds (distance) P-C4' energy: -153.326 flat angles C4'-P-C4' energy: -140.511 flat angles P-C4'-P energy: -57.260 tors. eta vs tors. theta energy: 9.151 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: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -709.660907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.660907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.660907 (E_RNA) where: Base-Base interactions energy: -248.202 where: short stacking energy: -228.094 Base-Backbone interact. energy: 5.549 local terms energy: -467.008151 where: bonds (distance) C4'-P energy: -149.175 bonds (distance) P-C4' energy: -156.367 flat angles C4'-P-C4' energy: -125.277 flat angles P-C4'-P energy: -57.666 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: 8 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -2334.132847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.132847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.132847 (E_RNA) where: Base-Base interactions energy: -1472.841 where: short stacking energy: -763.622 Base-Backbone interact. energy: 1.795 local terms energy: -863.086345 where: bonds (distance) C4'-P energy: -166.197 bonds (distance) P-C4' energy: -184.013 flat angles C4'-P-C4' energy: -203.371 flat angles P-C4'-P energy: -132.352 tors. eta vs tors. theta energy: -177.154 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: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1871.534055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.534055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.534055 (E_RNA) where: Base-Base interactions energy: -1061.515 where: short stacking energy: -656.064 Base-Backbone interact. energy: -2.104 local terms energy: -807.914608 where: bonds (distance) C4'-P energy: -169.715 bonds (distance) P-C4' energy: -175.488 flat angles C4'-P-C4' energy: -192.129 flat angles P-C4'-P energy: -126.538 tors. eta vs tors. theta energy: -144.045 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: 16 Temperature: 1.000000 Total energy: -1693.181848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.181848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.181848 (E_RNA) where: Base-Base interactions energy: -863.779 where: short stacking energy: -609.859 Base-Backbone interact. energy: -1.684 local terms energy: -827.718505 where: bonds (distance) C4'-P energy: -176.465 bonds (distance) P-C4' energy: -179.983 flat angles C4'-P-C4' energy: -184.247 flat angles P-C4'-P energy: -106.949 tors. eta vs tors. theta energy: -180.074 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: 5 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1594.231690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.231690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.231690 (E_RNA) where: Base-Base interactions energy: -876.712 where: short stacking energy: -551.235 Base-Backbone interact. energy: -1.819 local terms energy: -715.700355 where: bonds (distance) C4'-P energy: -156.546 bonds (distance) P-C4' energy: -174.765 flat angles C4'-P-C4' energy: -162.055 flat angles P-C4'-P energy: -95.450 tors. eta vs tors. theta energy: -126.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1791.515237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.515237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.515237 (E_RNA) where: Base-Base interactions energy: -1066.623 where: short stacking energy: -562.483 Base-Backbone interact. energy: -2.147 local terms energy: -722.744481 where: bonds (distance) C4'-P energy: -138.382 bonds (distance) P-C4' energy: -171.969 flat angles C4'-P-C4' energy: -178.823 flat angles P-C4'-P energy: -111.424 tors. eta vs tors. theta energy: -122.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -1272.310686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.310686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.310686 (E_RNA) where: Base-Base interactions energy: -643.530 where: short stacking energy: -421.995 Base-Backbone interact. energy: 0.415 local terms energy: -629.195657 where: bonds (distance) C4'-P energy: -147.482 bonds (distance) P-C4' energy: -152.466 flat angles C4'-P-C4' energy: -166.430 flat angles P-C4'-P energy: -82.598 tors. eta vs tors. theta energy: -80.221 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: 4 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1113.510961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.510961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.510961 (E_RNA) where: Base-Base interactions energy: -537.321 where: short stacking energy: -369.285 Base-Backbone interact. energy: 5.080 local terms energy: -581.270050 where: bonds (distance) C4'-P energy: -127.992 bonds (distance) P-C4' energy: -168.521 flat angles C4'-P-C4' energy: -149.425 flat angles P-C4'-P energy: -95.827 tors. eta vs tors. theta energy: -39.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -1092.017995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.017995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.017995 (E_RNA) where: Base-Base interactions energy: -503.388 where: short stacking energy: -342.183 Base-Backbone interact. energy: 3.152 local terms energy: -591.782244 where: bonds (distance) C4'-P energy: -148.512 bonds (distance) P-C4' energy: -163.418 flat angles C4'-P-C4' energy: -171.600 flat angles P-C4'-P energy: -76.048 tors. eta vs tors. theta energy: -32.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -996.132120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.132120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.132120 (E_RNA) where: Base-Base interactions energy: -479.695 where: short stacking energy: -321.045 Base-Backbone interact. energy: -0.478 local terms energy: -515.959164 where: bonds (distance) C4'-P energy: -136.620 bonds (distance) P-C4' energy: -162.263 flat angles C4'-P-C4' energy: -141.565 flat angles P-C4'-P energy: -60.531 tors. eta vs tors. theta energy: -14.980 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: 9 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -670.740037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.740037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.740037 (E_RNA) where: Base-Base interactions energy: -220.959 where: short stacking energy: -208.576 Base-Backbone interact. energy: 4.430 local terms energy: -454.210917 where: bonds (distance) C4'-P energy: -144.877 bonds (distance) P-C4' energy: -163.648 flat angles C4'-P-C4' energy: -104.284 flat angles P-C4'-P energy: -77.997 tors. eta vs tors. theta energy: 36.595 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: 8 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -2361.592913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.592913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.592913 (E_RNA) where: Base-Base interactions energy: -1504.565 where: short stacking energy: -741.456 Base-Backbone interact. energy: -4.890 local terms energy: -852.137719 where: bonds (distance) C4'-P energy: -167.939 bonds (distance) P-C4' energy: -204.166 flat angles C4'-P-C4' energy: -173.395 flat angles P-C4'-P energy: -132.231 tors. eta vs tors. theta energy: -174.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1854.828060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.828060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.828060 (E_RNA) where: Base-Base interactions energy: -1079.336 where: short stacking energy: -637.723 Base-Backbone interact. energy: 5.288 local terms energy: -780.780024 where: bonds (distance) C4'-P energy: -151.703 bonds (distance) P-C4' energy: -166.966 flat angles C4'-P-C4' energy: -198.492 flat angles P-C4'-P energy: -116.555 tors. eta vs tors. theta energy: -147.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1682.585330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.585330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.585330 (E_RNA) where: Base-Base interactions energy: -944.356 where: short stacking energy: -595.924 Base-Backbone interact. energy: 1.367 local terms energy: -739.596104 where: bonds (distance) C4'-P energy: -165.580 bonds (distance) P-C4' energy: -155.185 flat angles C4'-P-C4' energy: -171.303 flat angles P-C4'-P energy: -108.448 tors. eta vs tors. theta energy: -139.081 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: 4, replica: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1891.855490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.855490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.855490 (E_RNA) where: Base-Base interactions energy: -1156.983 where: short stacking energy: -636.945 Base-Backbone interact. energy: -1.824 local terms energy: -733.048491 where: bonds (distance) C4'-P energy: -165.908 bonds (distance) P-C4' energy: -171.072 flat angles C4'-P-C4' energy: -186.309 flat angles P-C4'-P energy: -92.893 tors. eta vs tors. theta energy: -116.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1515.612335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.612335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.612335 (E_RNA) where: Base-Base interactions energy: -823.603 where: short stacking energy: -499.725 Base-Backbone interact. energy: -2.078 local terms energy: -689.930980 where: bonds (distance) C4'-P energy: -145.874 bonds (distance) P-C4' energy: -169.682 flat angles C4'-P-C4' energy: -165.640 flat angles P-C4'-P energy: -107.763 tors. eta vs tors. theta energy: -100.973 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: 2 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1295.158629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.158629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.158629 (E_RNA) where: Base-Base interactions energy: -676.797 where: short stacking energy: -421.802 Base-Backbone interact. energy: -1.403 local terms energy: -616.958571 where: bonds (distance) C4'-P energy: -164.224 bonds (distance) P-C4' energy: -155.888 flat angles C4'-P-C4' energy: -156.112 flat angles P-C4'-P energy: -74.681 tors. eta vs tors. theta energy: -66.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -1169.478878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.478878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.478878 (E_RNA) where: Base-Base interactions energy: -596.808 where: short stacking energy: -374.534 Base-Backbone interact. energy: -1.026 local terms energy: -571.644113 where: bonds (distance) C4'-P energy: -138.118 bonds (distance) P-C4' energy: -157.828 flat angles C4'-P-C4' energy: -145.377 flat angles P-C4'-P energy: -81.835 tors. eta vs tors. theta energy: -48.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -988.459313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.459313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.459313 (E_RNA) where: Base-Base interactions energy: -525.148 where: short stacking energy: -333.825 Base-Backbone interact. energy: 1.441 local terms energy: -464.751755 where: bonds (distance) C4'-P energy: -122.555 bonds (distance) P-C4' energy: -157.264 flat angles C4'-P-C4' energy: -128.494 flat angles P-C4'-P energy: -63.773 tors. eta vs tors. theta energy: 7.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -1020.851453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.851453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.851453 (E_RNA) where: Base-Base interactions energy: -530.299 where: short stacking energy: -285.136 Base-Backbone interact. energy: 2.264 local terms energy: -492.815685 where: bonds (distance) C4'-P energy: -155.745 bonds (distance) P-C4' energy: -144.375 flat angles C4'-P-C4' energy: -129.406 flat angles P-C4'-P energy: -57.297 tors. eta vs tors. theta energy: -5.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -805.262287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.262287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.262287 (E_RNA) where: Base-Base interactions energy: -330.832 where: short stacking energy: -223.879 Base-Backbone interact. energy: 0.345 local terms energy: -474.774809 where: bonds (distance) C4'-P energy: -134.294 bonds (distance) P-C4' energy: -149.593 flat angles C4'-P-C4' energy: -121.503 flat angles P-C4'-P energy: -89.813 tors. eta vs tors. theta energy: 20.428 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: 8 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -2380.339833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.339833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.339833 (E_RNA) where: Base-Base interactions energy: -1523.759 where: short stacking energy: -770.478 Base-Backbone interact. energy: -1.999 local terms energy: -854.581039 where: bonds (distance) C4'-P energy: -176.359 bonds (distance) P-C4' energy: -196.799 flat angles C4'-P-C4' energy: -181.935 flat angles P-C4'-P energy: -118.415 tors. eta vs tors. theta energy: -181.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1867.341506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.341506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.341506 (E_RNA) where: Base-Base interactions energy: -1104.569 where: short stacking energy: -689.870 Base-Backbone interact. energy: -2.218 local terms energy: -760.554237 where: bonds (distance) C4'-P energy: -155.947 bonds (distance) P-C4' energy: -171.522 flat angles C4'-P-C4' energy: -182.031 flat angles P-C4'-P energy: -104.926 tors. eta vs tors. theta energy: -146.128 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: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -2052.871441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.871441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.871441 (E_RNA) where: Base-Base interactions energy: -1253.286 where: short stacking energy: -640.221 Base-Backbone interact. energy: 1.160 local terms energy: -800.745590 where: bonds (distance) C4'-P energy: -181.322 bonds (distance) P-C4' energy: -175.298 flat angles C4'-P-C4' energy: -175.330 flat angles P-C4'-P energy: -122.617 tors. eta vs tors. theta energy: -146.178 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: 18 Temperature: 1.050000 Total energy: -1625.423834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.423834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.423834 (E_RNA) where: Base-Base interactions energy: -888.599 where: short stacking energy: -539.175 Base-Backbone interact. energy: -2.242 local terms energy: -734.582328 where: bonds (distance) C4'-P energy: -164.125 bonds (distance) P-C4' energy: -170.596 flat angles C4'-P-C4' energy: -165.558 flat angles P-C4'-P energy: -114.194 tors. eta vs tors. theta energy: -120.109 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: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1395.821298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.821298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.821298 (E_RNA) where: Base-Base interactions energy: -711.931 where: short stacking energy: -463.288 Base-Backbone interact. energy: -1.198 local terms energy: -682.692071 where: bonds (distance) C4'-P energy: -167.023 bonds (distance) P-C4' energy: -159.260 flat angles C4'-P-C4' energy: -162.317 flat angles P-C4'-P energy: -97.486 tors. eta vs tors. theta energy: -96.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1293.219138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.219138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.219138 (E_RNA) where: Base-Base interactions energy: -683.372 where: short stacking energy: -384.126 Base-Backbone interact. energy: -2.084 local terms energy: -607.762639 where: bonds (distance) C4'-P energy: -132.336 bonds (distance) P-C4' energy: -166.557 flat angles C4'-P-C4' energy: -165.992 flat angles P-C4'-P energy: -100.470 tors. eta vs tors. theta energy: -42.407 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: 18 Temperature: 1.200000 Total energy: -1215.574890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.574890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.574890 (E_RNA) where: Base-Base interactions energy: -602.374 where: short stacking energy: -362.995 Base-Backbone interact. energy: 1.096 local terms energy: -614.297224 where: bonds (distance) C4'-P energy: -142.742 bonds (distance) P-C4' energy: -177.271 flat angles C4'-P-C4' energy: -137.070 flat angles P-C4'-P energy: -106.264 tors. eta vs tors. theta energy: -50.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -1061.210552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.210552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.210552 (E_RNA) where: Base-Base interactions energy: -554.261 where: short stacking energy: -332.391 Base-Backbone interact. energy: -3.099 local terms energy: -503.850330 where: bonds (distance) C4'-P energy: -121.840 bonds (distance) P-C4' energy: -151.297 flat angles C4'-P-C4' energy: -140.627 flat angles P-C4'-P energy: -70.588 tors. eta vs tors. theta energy: -19.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -995.223502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.223502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.223502 (E_RNA) where: Base-Base interactions energy: -480.290 where: short stacking energy: -290.417 Base-Backbone interact. energy: -0.910 local terms energy: -514.023675 where: bonds (distance) C4'-P energy: -126.071 bonds (distance) P-C4' energy: -165.600 flat angles C4'-P-C4' energy: -130.551 flat angles P-C4'-P energy: -76.273 tors. eta vs tors. theta energy: -15.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -784.882960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.882960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.882960 (E_RNA) where: Base-Base interactions energy: -329.159 where: short stacking energy: -212.895 Base-Backbone interact. energy: 4.105 local terms energy: -459.829534 where: bonds (distance) C4'-P energy: -126.850 bonds (distance) P-C4' energy: -153.613 flat angles C4'-P-C4' energy: -131.806 flat angles P-C4'-P energy: -77.876 tors. eta vs tors. theta energy: 30.315 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: 8 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -2410.975302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.975302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.975302 (E_RNA) where: Base-Base interactions energy: -1554.191 where: short stacking energy: -787.815 Base-Backbone interact. energy: -2.209 local terms energy: -854.575849 where: bonds (distance) C4'-P energy: -169.078 bonds (distance) P-C4' energy: -176.984 flat angles C4'-P-C4' energy: -211.567 flat angles P-C4'-P energy: -112.383 tors. eta vs tors. theta energy: -184.565 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: 2, replica: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -2143.140969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.140969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.140969 (E_RNA) where: Base-Base interactions energy: -1301.161 where: short stacking energy: -697.830 Base-Backbone interact. energy: 1.447 local terms energy: -843.427331 where: bonds (distance) C4'-P energy: -184.214 bonds (distance) P-C4' energy: -179.518 flat angles C4'-P-C4' energy: -190.067 flat angles P-C4'-P energy: -128.747 tors. eta vs tors. theta energy: -160.880 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: 3, replica: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1792.752341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.752341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.752341 (E_RNA) where: Base-Base interactions energy: -994.001 where: short stacking energy: -582.484 Base-Backbone interact. energy: -0.056 local terms energy: -798.695128 where: bonds (distance) C4'-P energy: -175.160 bonds (distance) P-C4' energy: -188.964 flat angles C4'-P-C4' energy: -194.000 flat angles P-C4'-P energy: -104.647 tors. eta vs tors. theta energy: -135.923 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: 3 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1658.500183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.500183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.500183 (E_RNA) where: Base-Base interactions energy: -908.048 where: short stacking energy: -593.637 Base-Backbone interact. energy: -3.692 local terms energy: -746.760574 where: bonds (distance) C4'-P energy: -146.582 bonds (distance) P-C4' energy: -169.223 flat angles C4'-P-C4' energy: -173.825 flat angles P-C4'-P energy: -121.531 tors. eta vs tors. theta energy: -135.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1374.398311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.398311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.398311 (E_RNA) where: Base-Base interactions energy: -703.121 where: short stacking energy: -433.044 Base-Backbone interact. energy: -1.307 local terms energy: -669.970100 where: bonds (distance) C4'-P energy: -175.854 bonds (distance) P-C4' energy: -173.229 flat angles C4'-P-C4' energy: -155.447 flat angles P-C4'-P energy: -98.541 tors. eta vs tors. theta energy: -66.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1456.969964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.969964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.969964 (E_RNA) where: Base-Base interactions energy: -826.608 where: short stacking energy: -474.389 Base-Backbone interact. energy: 6.443 local terms energy: -636.804660 where: bonds (distance) C4'-P energy: -161.973 bonds (distance) P-C4' energy: -160.272 flat angles C4'-P-C4' energy: -137.961 flat angles P-C4'-P energy: -80.237 tors. eta vs tors. theta energy: -96.362 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: 19 Temperature: 1.200000 Total energy: -1242.388775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.388775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.388775 (E_RNA) where: Base-Base interactions energy: -648.850 where: short stacking energy: -417.246 Base-Backbone interact. energy: 0.383 local terms energy: -593.921899 where: bonds (distance) C4'-P energy: -138.664 bonds (distance) P-C4' energy: -146.232 flat angles C4'-P-C4' energy: -158.797 flat angles P-C4'-P energy: -94.209 tors. eta vs tors. theta energy: -56.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -1105.569482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.569482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.569482 (E_RNA) where: Base-Base interactions energy: -550.107 where: short stacking energy: -297.933 Base-Backbone interact. energy: 1.274 local terms energy: -556.736414 where: bonds (distance) C4'-P energy: -131.823 bonds (distance) P-C4' energy: -161.208 flat angles C4'-P-C4' energy: -149.303 flat angles P-C4'-P energy: -98.648 tors. eta vs tors. theta energy: -15.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -1090.789634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.789634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.789634 (E_RNA) where: Base-Base interactions energy: -601.689 where: short stacking energy: -334.669 Base-Backbone interact. energy: 2.950 local terms energy: -492.050661 where: bonds (distance) C4'-P energy: -137.518 bonds (distance) P-C4' energy: -143.931 flat angles C4'-P-C4' energy: -130.133 flat angles P-C4'-P energy: -72.004 tors. eta vs tors. theta energy: -8.465 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: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -707.942980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.942980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.942980 (E_RNA) where: Base-Base interactions energy: -270.629 where: short stacking energy: -199.321 Base-Backbone interact. energy: -3.034 local terms energy: -434.280061 where: bonds (distance) C4'-P energy: -132.288 bonds (distance) P-C4' energy: -128.812 flat angles C4'-P-C4' energy: -142.524 flat angles P-C4'-P energy: -60.599 tors. eta vs tors. theta energy: 29.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -2483.340876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.340876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.340876 (E_RNA) where: Base-Base interactions energy: -1605.426 where: short stacking energy: -776.793 Base-Backbone interact. energy: -0.948 local terms energy: -876.967156 where: bonds (distance) C4'-P energy: -180.828 bonds (distance) P-C4' energy: -191.316 flat angles C4'-P-C4' energy: -202.757 flat angles P-C4'-P energy: -114.987 tors. eta vs tors. theta energy: -187.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -2163.231411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.231411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.231411 (E_RNA) where: Base-Base interactions energy: -1321.753 where: short stacking energy: -719.485 Base-Backbone interact. energy: -2.484 local terms energy: -838.993916 where: bonds (distance) C4'-P energy: -177.848 bonds (distance) P-C4' energy: -165.681 flat angles C4'-P-C4' energy: -201.513 flat angles P-C4'-P energy: -115.131 tors. eta vs tors. theta energy: -178.821 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: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1838.240070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.240070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.240070 (E_RNA) where: Base-Base interactions energy: -1044.563 where: short stacking energy: -593.333 Base-Backbone interact. energy: -3.326 local terms energy: -790.351401 where: bonds (distance) C4'-P energy: -167.409 bonds (distance) P-C4' energy: -185.988 flat angles C4'-P-C4' energy: -190.844 flat angles P-C4'-P energy: -99.216 tors. eta vs tors. theta energy: -146.895 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: 3 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1653.845616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.845616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.845616 (E_RNA) where: Base-Base interactions energy: -929.658 where: short stacking energy: -541.326 Base-Backbone interact. energy: -0.334 local terms energy: -723.853377 where: bonds (distance) C4'-P energy: -166.183 bonds (distance) P-C4' energy: -160.042 flat angles C4'-P-C4' energy: -176.172 flat angles P-C4'-P energy: -108.842 tors. eta vs tors. theta energy: -112.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1574.767654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.767654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.767654 (E_RNA) where: Base-Base interactions energy: -898.104 where: short stacking energy: -505.722 Base-Backbone interact. energy: 2.376 local terms energy: -679.039660 where: bonds (distance) C4'-P energy: -181.113 bonds (distance) P-C4' energy: -155.223 flat angles C4'-P-C4' energy: -153.755 flat angles P-C4'-P energy: -115.437 tors. eta vs tors. theta energy: -73.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1404.821676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.821676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.821676 (E_RNA) where: Base-Base interactions energy: -761.520 where: short stacking energy: -510.452 Base-Backbone interact. energy: -1.702 local terms energy: -641.600188 where: bonds (distance) C4'-P energy: -141.629 bonds (distance) P-C4' energy: -156.945 flat angles C4'-P-C4' energy: -145.621 flat angles P-C4'-P energy: -104.384 tors. eta vs tors. theta energy: -93.022 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: 7, replica: 4 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -1357.566549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.566549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.566549 (E_RNA) where: Base-Base interactions energy: -735.350 where: short stacking energy: -435.953 Base-Backbone interact. energy: -1.293 local terms energy: -620.922960 where: bonds (distance) C4'-P energy: -152.945 bonds (distance) P-C4' energy: -157.076 flat angles C4'-P-C4' energy: -158.321 flat angles P-C4'-P energy: -88.354 tors. eta vs tors. theta energy: -64.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -1162.626866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.626866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.626866 (E_RNA) where: Base-Base interactions energy: -573.570 where: short stacking energy: -338.447 Base-Backbone interact. energy: -1.263 local terms energy: -587.793890 where: bonds (distance) C4'-P energy: -165.008 bonds (distance) P-C4' energy: -144.932 flat angles C4'-P-C4' energy: -151.538 flat angles P-C4'-P energy: -88.012 tors. eta vs tors. theta energy: -38.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -1055.949857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.949857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.949857 (E_RNA) where: Base-Base interactions energy: -543.242 where: short stacking energy: -327.190 Base-Backbone interact. energy: -0.125 local terms energy: -512.582916 where: bonds (distance) C4'-P energy: -130.366 bonds (distance) P-C4' energy: -147.740 flat angles C4'-P-C4' energy: -146.388 flat angles P-C4'-P energy: -92.818 tors. eta vs tors. theta energy: 4.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -817.133869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.133869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.133869 (E_RNA) where: Base-Base interactions energy: -335.840 where: short stacking energy: -218.115 Base-Backbone interact. energy: -0.630 local terms energy: -480.664298 where: bonds (distance) C4'-P energy: -161.591 bonds (distance) P-C4' energy: -152.267 flat angles C4'-P-C4' energy: -111.173 flat angles P-C4'-P energy: -67.107 tors. eta vs tors. theta energy: 11.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -2470.973625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.973625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.973625 (E_RNA) where: Base-Base interactions energy: -1591.138 where: short stacking energy: -783.444 Base-Backbone interact. energy: -8.826 local terms energy: -871.010335 where: bonds (distance) C4'-P energy: -175.419 bonds (distance) P-C4' energy: -177.791 flat angles C4'-P-C4' energy: -201.780 flat angles P-C4'-P energy: -126.074 tors. eta vs tors. theta energy: -189.946 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: 6 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -2154.448299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2154.448299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2154.448299 (E_RNA) where: Base-Base interactions energy: -1344.941 where: short stacking energy: -681.200 Base-Backbone interact. energy: -2.442 local terms energy: -807.065299 where: bonds (distance) C4'-P energy: -183.164 bonds (distance) P-C4' energy: -169.852 flat angles C4'-P-C4' energy: -186.070 flat angles P-C4'-P energy: -114.093 tors. eta vs tors. theta energy: -153.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1812.692400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.692400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.692400 (E_RNA) where: Base-Base interactions energy: -1058.095 where: short stacking energy: -612.692 Base-Backbone interact. energy: 0.621 local terms energy: -755.218307 where: bonds (distance) C4'-P energy: -157.830 bonds (distance) P-C4' energy: -164.972 flat angles C4'-P-C4' energy: -179.916 flat angles P-C4'-P energy: -109.591 tors. eta vs tors. theta energy: -142.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1641.735399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.735399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.735399 (E_RNA) where: Base-Base interactions energy: -909.170 where: short stacking energy: -556.991 Base-Backbone interact. energy: -4.285 local terms energy: -728.280700 where: bonds (distance) C4'-P energy: -165.795 bonds (distance) P-C4' energy: -151.384 flat angles C4'-P-C4' energy: -171.750 flat angles P-C4'-P energy: -111.654 tors. eta vs tors. theta energy: -127.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1579.867332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.867332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.867332 (E_RNA) where: Base-Base interactions energy: -887.457 where: short stacking energy: -553.951 Base-Backbone interact. energy: -2.021 local terms energy: -690.389675 where: bonds (distance) C4'-P energy: -152.721 bonds (distance) P-C4' energy: -178.168 flat angles C4'-P-C4' energy: -149.090 flat angles P-C4'-P energy: -96.027 tors. eta vs tors. theta energy: -114.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1516.765192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.765192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.765192 (E_RNA) where: Base-Base interactions energy: -860.173 where: short stacking energy: -478.403 Base-Backbone interact. energy: -1.041 local terms energy: -655.551248 where: bonds (distance) C4'-P energy: -145.316 bonds (distance) P-C4' energy: -147.318 flat angles C4'-P-C4' energy: -181.487 flat angles P-C4'-P energy: -94.577 tors. eta vs tors. theta energy: -86.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -1261.634660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.634660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.634660 (E_RNA) where: Base-Base interactions energy: -646.216 where: short stacking energy: -413.201 Base-Backbone interact. energy: -3.076 local terms energy: -612.342118 where: bonds (distance) C4'-P energy: -162.830 bonds (distance) P-C4' energy: -162.009 flat angles C4'-P-C4' energy: -152.230 flat angles P-C4'-P energy: -81.823 tors. eta vs tors. theta energy: -53.450 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: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -1212.407991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.407991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.407991 (E_RNA) where: Base-Base interactions energy: -615.558 where: short stacking energy: -329.279 Base-Backbone interact. energy: -2.706 local terms energy: -594.144483 where: bonds (distance) C4'-P energy: -148.124 bonds (distance) P-C4' energy: -166.462 flat angles C4'-P-C4' energy: -133.605 flat angles P-C4'-P energy: -103.216 tors. eta vs tors. theta energy: -42.737 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: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -1040.646649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.646649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.646649 (E_RNA) where: Base-Base interactions energy: -521.583 where: short stacking energy: -288.938 Base-Backbone interact. energy: -1.208 local terms energy: -517.855113 where: bonds (distance) C4'-P energy: -125.123 bonds (distance) P-C4' energy: -170.325 flat angles C4'-P-C4' energy: -149.054 flat angles P-C4'-P energy: -77.387 tors. eta vs tors. theta energy: 4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -866.475446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.475446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.475446 (E_RNA) where: Base-Base interactions energy: -372.635 where: short stacking energy: -273.454 Base-Backbone interact. energy: 4.076 local terms energy: -497.915791 where: bonds (distance) C4'-P energy: -146.938 bonds (distance) P-C4' energy: -143.641 flat angles C4'-P-C4' energy: -133.850 flat angles P-C4'-P energy: -73.439 tors. eta vs tors. theta energy: -0.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -2571.541581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.541581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.541581 (E_RNA) where: Base-Base interactions energy: -1680.806 where: short stacking energy: -804.716 Base-Backbone interact. energy: -3.785 local terms energy: -886.950436 where: bonds (distance) C4'-P energy: -175.332 bonds (distance) P-C4' energy: -185.927 flat angles C4'-P-C4' energy: -194.579 flat angles P-C4'-P energy: -119.218 tors. eta vs tors. theta energy: -211.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -2227.169114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.169114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.169114 (E_RNA) where: Base-Base interactions energy: -1399.411 where: short stacking energy: -717.448 Base-Backbone interact. energy: -3.543 local terms energy: -824.215046 where: bonds (distance) C4'-P energy: -159.777 bonds (distance) P-C4' energy: -171.006 flat angles C4'-P-C4' energy: -186.372 flat angles P-C4'-P energy: -131.956 tors. eta vs tors. theta energy: -175.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1872.140600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.140600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.140600 (E_RNA) where: Base-Base interactions energy: -1066.250 where: short stacking energy: -637.616 Base-Backbone interact. energy: -0.449 local terms energy: -805.441591 where: bonds (distance) C4'-P energy: -172.464 bonds (distance) P-C4' energy: -178.759 flat angles C4'-P-C4' energy: -174.623 flat angles P-C4'-P energy: -123.389 tors. eta vs tors. theta energy: -156.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1649.546320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.546320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.546320 (E_RNA) where: Base-Base interactions energy: -903.309 where: short stacking energy: -543.140 Base-Backbone interact. energy: 1.324 local terms energy: -747.561818 where: bonds (distance) C4'-P energy: -166.576 bonds (distance) P-C4' energy: -180.377 flat angles C4'-P-C4' energy: -176.377 flat angles P-C4'-P energy: -113.287 tors. eta vs tors. theta energy: -110.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1611.708754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.708754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.708754 (E_RNA) where: Base-Base interactions energy: -921.690 where: short stacking energy: -505.482 Base-Backbone interact. energy: -0.470 local terms energy: -689.548334 where: bonds (distance) C4'-P energy: -154.260 bonds (distance) P-C4' energy: -170.461 flat angles C4'-P-C4' energy: -155.521 flat angles P-C4'-P energy: -104.387 tors. eta vs tors. theta energy: -104.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1581.779622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.779622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.779622 (E_RNA) where: Base-Base interactions energy: -929.519 where: short stacking energy: -483.048 Base-Backbone interact. energy: 4.181 local terms energy: -656.441482 where: bonds (distance) C4'-P energy: -153.609 bonds (distance) P-C4' energy: -152.500 flat angles C4'-P-C4' energy: -161.249 flat angles P-C4'-P energy: -85.874 tors. eta vs tors. theta energy: -103.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -1334.071181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.071181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.071181 (E_RNA) where: Base-Base interactions energy: -711.689 where: short stacking energy: -405.826 Base-Backbone interact. energy: 0.024 local terms energy: -622.405873 where: bonds (distance) C4'-P energy: -160.802 bonds (distance) P-C4' energy: -175.684 flat angles C4'-P-C4' energy: -156.166 flat angles P-C4'-P energy: -85.340 tors. eta vs tors. theta energy: -44.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -1136.813462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.813462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.813462 (E_RNA) where: Base-Base interactions energy: -573.976 where: short stacking energy: -348.757 Base-Backbone interact. energy: 2.265 local terms energy: -565.102550 where: bonds (distance) C4'-P energy: -145.449 bonds (distance) P-C4' energy: -147.388 flat angles C4'-P-C4' energy: -155.884 flat angles P-C4'-P energy: -64.934 tors. eta vs tors. theta energy: -51.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -1048.838843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.838843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.838843 (E_RNA) where: Base-Base interactions energy: -543.279 where: short stacking energy: -307.275 Base-Backbone interact. energy: -0.115 local terms energy: -505.444856 where: bonds (distance) C4'-P energy: -147.924 bonds (distance) P-C4' energy: -153.596 flat angles C4'-P-C4' energy: -117.308 flat angles P-C4'-P energy: -86.548 tors. eta vs tors. theta energy: -0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -812.719263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.719263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.719263 (E_RNA) where: Base-Base interactions energy: -333.748 where: short stacking energy: -188.560 Base-Backbone interact. energy: 2.117 local terms energy: -481.088625 where: bonds (distance) C4'-P energy: -134.759 bonds (distance) P-C4' energy: -138.466 flat angles C4'-P-C4' energy: -150.136 flat angles P-C4'-P energy: -76.837 tors. eta vs tors. theta energy: 19.109 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: 8 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -2536.609436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.609436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.609436 (E_RNA) where: Base-Base interactions energy: -1640.570 where: short stacking energy: -787.520 Base-Backbone interact. energy: -5.893 local terms energy: -890.146951 where: bonds (distance) C4'-P energy: -170.880 bonds (distance) P-C4' energy: -191.014 flat angles C4'-P-C4' energy: -204.439 flat angles P-C4'-P energy: -126.835 tors. eta vs tors. theta energy: -196.979 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: 6 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -2289.402901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2289.402901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2289.402901 (E_RNA) where: Base-Base interactions energy: -1434.838 where: short stacking energy: -767.657 Base-Backbone interact. energy: -0.199 local terms energy: -854.365340 where: bonds (distance) C4'-P energy: -168.486 bonds (distance) P-C4' energy: -188.873 flat angles C4'-P-C4' energy: -199.914 flat angles P-C4'-P energy: -107.081 tors. eta vs tors. theta energy: -190.011 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: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1871.452786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.452786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.452786 (E_RNA) where: Base-Base interactions energy: -1090.086 where: short stacking energy: -599.614 Base-Backbone interact. energy: 3.286 local terms energy: -784.652801 where: bonds (distance) C4'-P energy: -162.196 bonds (distance) P-C4' energy: -187.435 flat angles C4'-P-C4' energy: -169.783 flat angles P-C4'-P energy: -114.167 tors. eta vs tors. theta energy: -151.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1745.149300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.149300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.149300 (E_RNA) where: Base-Base interactions energy: -1004.454 where: short stacking energy: -553.583 Base-Backbone interact. energy: -0.933 local terms energy: -739.762964 where: bonds (distance) C4'-P energy: -182.511 bonds (distance) P-C4' energy: -171.553 flat angles C4'-P-C4' energy: -183.565 flat angles P-C4'-P energy: -92.976 tors. eta vs tors. theta energy: -109.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1592.510824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.510824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.510824 (E_RNA) where: Base-Base interactions energy: -922.350 where: short stacking energy: -533.597 Base-Backbone interact. energy: -2.460 local terms energy: -667.700502 where: bonds (distance) C4'-P energy: -143.208 bonds (distance) P-C4' energy: -163.359 flat angles C4'-P-C4' energy: -159.977 flat angles P-C4'-P energy: -96.101 tors. eta vs tors. theta energy: -105.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1666.756749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.756749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.756749 (E_RNA) where: Base-Base interactions energy: -991.348 where: short stacking energy: -509.683 Base-Backbone interact. energy: -1.761 local terms energy: -673.648109 where: bonds (distance) C4'-P energy: -150.941 bonds (distance) P-C4' energy: -158.224 flat angles C4'-P-C4' energy: -161.684 flat angles P-C4'-P energy: -104.331 tors. eta vs tors. theta energy: -98.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -1361.367417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.367417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.367417 (E_RNA) where: Base-Base interactions energy: -772.492 where: short stacking energy: -428.335 Base-Backbone interact. energy: 8.096 local terms energy: -596.972092 where: bonds (distance) C4'-P energy: -151.207 bonds (distance) P-C4' energy: -149.560 flat angles C4'-P-C4' energy: -159.003 flat angles P-C4'-P energy: -68.660 tors. eta vs tors. theta energy: -68.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -1098.129596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.129596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.129596 (E_RNA) where: Base-Base interactions energy: -529.331 where: short stacking energy: -343.013 Base-Backbone interact. energy: 6.114 local terms energy: -574.912482 where: bonds (distance) C4'-P energy: -143.448 bonds (distance) P-C4' energy: -161.302 flat angles C4'-P-C4' energy: -132.471 flat angles P-C4'-P energy: -100.285 tors. eta vs tors. theta energy: -37.407 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: 23 Temperature: 1.300000 Total energy: -1145.010850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.010850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.010850 (E_RNA) where: Base-Base interactions energy: -602.790 where: short stacking energy: -338.916 Base-Backbone interact. energy: 6.054 local terms energy: -548.275059 where: bonds (distance) C4'-P energy: -121.883 bonds (distance) P-C4' energy: -158.765 flat angles C4'-P-C4' energy: -160.628 flat angles P-C4'-P energy: -86.957 tors. eta vs tors. theta energy: -20.042 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: 9 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -895.759346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.759346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.759346 (E_RNA) where: Base-Base interactions energy: -416.815 where: short stacking energy: -245.477 Base-Backbone interact. energy: 3.201 local terms energy: -482.145554 where: bonds (distance) C4'-P energy: -126.737 bonds (distance) P-C4' energy: -166.164 flat angles C4'-P-C4' energy: -129.390 flat angles P-C4'-P energy: -58.331 tors. eta vs tors. theta energy: -1.524 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: 8 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -2575.770513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.770513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.770513 (E_RNA) where: Base-Base interactions energy: -1677.549 where: short stacking energy: -824.383 Base-Backbone interact. energy: -3.730 local terms energy: -894.491821 where: bonds (distance) C4'-P energy: -181.492 bonds (distance) P-C4' energy: -188.676 flat angles C4'-P-C4' energy: -190.197 flat angles P-C4'-P energy: -124.516 tors. eta vs tors. theta energy: -209.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -2336.911823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.911823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.911823 (E_RNA) where: Base-Base interactions energy: -1463.668 where: short stacking energy: -760.822 Base-Backbone interact. energy: -2.177 local terms energy: -871.067100 where: bonds (distance) C4'-P energy: -183.677 bonds (distance) P-C4' energy: -170.231 flat angles C4'-P-C4' energy: -194.592 flat angles P-C4'-P energy: -127.569 tors. eta vs tors. theta energy: -194.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1935.040740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.040740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.040740 (E_RNA) where: Base-Base interactions energy: -1158.061 where: short stacking energy: -643.768 Base-Backbone interact. energy: -1.086 local terms energy: -775.894040 where: bonds (distance) C4'-P energy: -167.937 bonds (distance) P-C4' energy: -185.014 flat angles C4'-P-C4' energy: -168.689 flat angles P-C4'-P energy: -103.772 tors. eta vs tors. theta energy: -150.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1746.961802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.961802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.961802 (E_RNA) where: Base-Base interactions energy: -1030.717 where: short stacking energy: -569.661 Base-Backbone interact. energy: -0.759 local terms energy: -715.486056 where: bonds (distance) C4'-P energy: -155.727 bonds (distance) P-C4' energy: -179.382 flat angles C4'-P-C4' energy: -179.415 flat angles P-C4'-P energy: -93.940 tors. eta vs tors. theta energy: -107.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1807.858756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.858756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.858756 (E_RNA) where: Base-Base interactions energy: -1085.075 where: short stacking energy: -553.553 Base-Backbone interact. energy: -0.030 local terms energy: -722.753128 where: bonds (distance) C4'-P energy: -163.301 bonds (distance) P-C4' energy: -182.058 flat angles C4'-P-C4' energy: -169.262 flat angles P-C4'-P energy: -93.362 tors. eta vs tors. theta energy: -114.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1489.381130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.381130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.381130 (E_RNA) where: Base-Base interactions energy: -838.286 where: short stacking energy: -437.963 Base-Backbone interact. energy: -2.054 local terms energy: -649.041376 where: bonds (distance) C4'-P energy: -145.509 bonds (distance) P-C4' energy: -164.050 flat angles C4'-P-C4' energy: -150.478 flat angles P-C4'-P energy: -90.746 tors. eta vs tors. theta energy: -98.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -1385.226603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.226603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.226603 (E_RNA) where: Base-Base interactions energy: -752.588 where: short stacking energy: -417.897 Base-Backbone interact. energy: 2.959 local terms energy: -635.597560 where: bonds (distance) C4'-P energy: -159.894 bonds (distance) P-C4' energy: -156.325 flat angles C4'-P-C4' energy: -163.343 flat angles P-C4'-P energy: -99.254 tors. eta vs tors. theta energy: -56.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -1180.851056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.851056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.851056 (E_RNA) where: Base-Base interactions energy: -624.092 where: short stacking energy: -387.818 Base-Backbone interact. energy: -4.557 local terms energy: -552.201393 where: bonds (distance) C4'-P energy: -142.662 bonds (distance) P-C4' energy: -154.814 flat angles C4'-P-C4' energy: -135.498 flat angles P-C4'-P energy: -65.981 tors. eta vs tors. theta energy: -53.246 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: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -1162.404404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.404404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.404404 (E_RNA) where: Base-Base interactions energy: -638.543 where: short stacking energy: -342.572 Base-Backbone interact. energy: 7.107 local terms energy: -530.968173 where: bonds (distance) C4'-P energy: -133.361 bonds (distance) P-C4' energy: -169.788 flat angles C4'-P-C4' energy: -116.303 flat angles P-C4'-P energy: -92.082 tors. eta vs tors. theta energy: -19.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -1000.462277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.462277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.462277 (E_RNA) where: Base-Base interactions energy: -507.158 where: short stacking energy: -293.219 Base-Backbone interact. energy: -1.718 local terms energy: -491.586588 where: bonds (distance) C4'-P energy: -122.322 bonds (distance) P-C4' energy: -144.067 flat angles C4'-P-C4' energy: -109.246 flat angles P-C4'-P energy: -102.823 tors. eta vs tors. theta energy: -13.129 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: 8 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -2624.625113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.625113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.625113 (E_RNA) where: Base-Base interactions energy: -1703.602 where: short stacking energy: -843.873 Base-Backbone interact. energy: 0.304 local terms energy: -921.327677 where: bonds (distance) C4'-P energy: -177.002 bonds (distance) P-C4' energy: -190.858 flat angles C4'-P-C4' energy: -200.756 flat angles P-C4'-P energy: -132.894 tors. eta vs tors. theta energy: -219.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -2331.402154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.402154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.402154 (E_RNA) where: Base-Base interactions energy: -1452.656 where: short stacking energy: -759.725 Base-Backbone interact. energy: -4.236 local terms energy: -874.510989 where: bonds (distance) C4'-P energy: -181.347 bonds (distance) P-C4' energy: -179.419 flat angles C4'-P-C4' energy: -211.359 flat angles P-C4'-P energy: -107.022 tors. eta vs tors. theta energy: -195.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -2000.567778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.567778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.567778 (E_RNA) where: Base-Base interactions energy: -1187.848 where: short stacking energy: -666.356 Base-Backbone interact. energy: -4.052 local terms energy: -808.667479 where: bonds (distance) C4'-P energy: -157.710 bonds (distance) P-C4' energy: -178.398 flat angles C4'-P-C4' energy: -191.478 flat angles P-C4'-P energy: -119.043 tors. eta vs tors. theta energy: -162.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -2108.271193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.271193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.271193 (E_RNA) where: Base-Base interactions energy: -1306.841 where: short stacking energy: -650.581 Base-Backbone interact. energy: -4.579 local terms energy: -796.850837 where: bonds (distance) C4'-P energy: -173.373 bonds (distance) P-C4' energy: -167.256 flat angles C4'-P-C4' energy: -181.920 flat angles P-C4'-P energy: -107.131 tors. eta vs tors. theta energy: -167.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1737.278357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.278357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.278357 (E_RNA) where: Base-Base interactions energy: -1051.181 where: short stacking energy: -575.083 Base-Backbone interact. energy: -2.804 local terms energy: -683.293319 where: bonds (distance) C4'-P energy: -153.848 bonds (distance) P-C4' energy: -162.283 flat angles C4'-P-C4' energy: -144.185 flat angles P-C4'-P energy: -103.191 tors. eta vs tors. theta energy: -119.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -1575.858232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.858232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.858232 (E_RNA) where: Base-Base interactions energy: -900.958 where: short stacking energy: -467.792 Base-Backbone interact. energy: -0.258 local terms energy: -674.641649 where: bonds (distance) C4'-P energy: -170.438 bonds (distance) P-C4' energy: -169.119 flat angles C4'-P-C4' energy: -158.268 flat angles P-C4'-P energy: -101.238 tors. eta vs tors. theta energy: -75.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -1429.534137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.534137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.534137 (E_RNA) where: Base-Base interactions energy: -849.389 where: short stacking energy: -400.101 Base-Backbone interact. energy: 2.705 local terms energy: -582.850077 where: bonds (distance) C4'-P energy: -132.411 bonds (distance) P-C4' energy: -147.060 flat angles C4'-P-C4' energy: -154.727 flat angles P-C4'-P energy: -95.933 tors. eta vs tors. theta energy: -52.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -1319.477339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.477339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.477339 (E_RNA) where: Base-Base interactions energy: -779.546 where: short stacking energy: -387.240 Base-Backbone interact. energy: -3.240 local terms energy: -536.690394 where: bonds (distance) C4'-P energy: -149.121 bonds (distance) P-C4' energy: -128.385 flat angles C4'-P-C4' energy: -149.784 flat angles P-C4'-P energy: -80.284 tors. eta vs tors. theta energy: -29.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -1100.602967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.602967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.602967 (E_RNA) where: Base-Base interactions energy: -584.381 where: short stacking energy: -338.584 Base-Backbone interact. energy: 1.799 local terms energy: -518.021472 where: bonds (distance) C4'-P energy: -134.014 bonds (distance) P-C4' energy: -137.201 flat angles C4'-P-C4' energy: -130.712 flat angles P-C4'-P energy: -86.719 tors. eta vs tors. theta energy: -29.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -921.925042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.925042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.925042 (E_RNA) where: Base-Base interactions energy: -451.975 where: short stacking energy: -264.843 Base-Backbone interact. energy: -0.984 local terms energy: -468.966237 where: bonds (distance) C4'-P energy: -134.787 bonds (distance) P-C4' energy: -150.483 flat angles C4'-P-C4' energy: -114.719 flat angles P-C4'-P energy: -56.871 tors. eta vs tors. theta energy: -12.107 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: 8 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -2573.390755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.390755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.390755 (E_RNA) where: Base-Base interactions energy: -1648.452 where: short stacking energy: -805.040 Base-Backbone interact. energy: -6.208 local terms energy: -918.731053 where: bonds (distance) C4'-P energy: -188.719 bonds (distance) P-C4' energy: -190.799 flat angles C4'-P-C4' energy: -203.917 flat angles P-C4'-P energy: -125.659 tors. eta vs tors. theta energy: -209.636 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: 26 Temperature: 0.950000 Total energy: -2313.840996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.840996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.840996 (E_RNA) where: Base-Base interactions energy: -1468.657 where: short stacking energy: -747.022 Base-Backbone interact. energy: -6.169 local terms energy: -839.015375 where: bonds (distance) C4'-P energy: -166.479 bonds (distance) P-C4' energy: -179.265 flat angles C4'-P-C4' energy: -184.438 flat angles P-C4'-P energy: -114.371 tors. eta vs tors. theta energy: -194.463 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: 4 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -2239.069887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.069887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.069887 (E_RNA) where: Base-Base interactions energy: -1426.638 where: short stacking energy: -728.480 Base-Backbone interact. energy: -3.464 local terms energy: -808.967747 where: bonds (distance) C4'-P energy: -165.307 bonds (distance) P-C4' energy: -161.555 flat angles C4'-P-C4' energy: -188.119 flat angles P-C4'-P energy: -123.163 tors. eta vs tors. theta energy: -170.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1930.222809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1930.222809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1930.222809 (E_RNA) where: Base-Base interactions energy: -1173.733 where: short stacking energy: -685.725 Base-Backbone interact. energy: -1.859 local terms energy: -754.630304 where: bonds (distance) C4'-P energy: -156.831 bonds (distance) P-C4' energy: -155.911 flat angles C4'-P-C4' energy: -162.922 flat angles P-C4'-P energy: -112.527 tors. eta vs tors. theta energy: -166.439 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: 5, replica: 2 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1752.641561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.641561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.641561 (E_RNA) where: Base-Base interactions energy: -995.372 where: short stacking energy: -526.130 Base-Backbone interact. energy: -2.240 local terms energy: -755.028733 where: bonds (distance) C4'-P energy: -175.442 bonds (distance) P-C4' energy: -180.106 flat angles C4'-P-C4' energy: -175.635 flat angles P-C4'-P energy: -106.247 tors. eta vs tors. theta energy: -117.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1595.422562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.422562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.422562 (E_RNA) where: Base-Base interactions energy: -929.174 where: short stacking energy: -500.110 Base-Backbone interact. energy: 5.320 local terms energy: -671.568016 where: bonds (distance) C4'-P energy: -167.381 bonds (distance) P-C4' energy: -146.377 flat angles C4'-P-C4' energy: -150.382 flat angles P-C4'-P energy: -110.437 tors. eta vs tors. theta energy: -96.991 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: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -1488.159491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.159491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.159491 (E_RNA) where: Base-Base interactions energy: -831.394 where: short stacking energy: -419.538 Base-Backbone interact. energy: -1.248 local terms energy: -655.517921 where: bonds (distance) C4'-P energy: -166.578 bonds (distance) P-C4' energy: -165.660 flat angles C4'-P-C4' energy: -138.347 flat angles P-C4'-P energy: -119.386 tors. eta vs tors. theta energy: -65.546 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: 10 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -1391.468718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.468718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.468718 (E_RNA) where: Base-Base interactions energy: -843.978 where: short stacking energy: -377.968 Base-Backbone interact. energy: -2.817 local terms energy: -544.674194 where: bonds (distance) C4'-P energy: -130.647 bonds (distance) P-C4' energy: -143.542 flat angles C4'-P-C4' energy: -137.187 flat angles P-C4'-P energy: -89.680 tors. eta vs tors. theta energy: -43.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -1080.585789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.585789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.585789 (E_RNA) where: Base-Base interactions energy: -568.248 where: short stacking energy: -339.085 Base-Backbone interact. energy: 1.626 local terms energy: -513.963009 where: bonds (distance) C4'-P energy: -132.439 bonds (distance) P-C4' energy: -153.331 flat angles C4'-P-C4' energy: -116.061 flat angles P-C4'-P energy: -74.823 tors. eta vs tors. theta energy: -37.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -1035.024928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.024928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.024928 (E_RNA) where: Base-Base interactions energy: -515.030 where: short stacking energy: -293.256 Base-Backbone interact. energy: 2.497 local terms energy: -522.491874 where: bonds (distance) C4'-P energy: -133.468 bonds (distance) P-C4' energy: -147.320 flat angles C4'-P-C4' energy: -127.741 flat angles P-C4'-P energy: -86.587 tors. eta vs tors. theta energy: -27.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -2644.514422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2644.514422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2644.514422 (E_RNA) where: Base-Base interactions energy: -1743.542 where: short stacking energy: -815.545 Base-Backbone interact. energy: -1.582 local terms energy: -899.390220 where: bonds (distance) C4'-P energy: -184.252 bonds (distance) P-C4' energy: -178.737 flat angles C4'-P-C4' energy: -191.746 flat angles P-C4'-P energy: -131.252 tors. eta vs tors. theta energy: -213.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -2359.874596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.874596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.874596 (E_RNA) where: Base-Base interactions energy: -1495.336 where: short stacking energy: -780.272 Base-Backbone interact. energy: -1.852 local terms energy: -862.686993 where: bonds (distance) C4'-P energy: -168.085 bonds (distance) P-C4' energy: -171.039 flat angles C4'-P-C4' energy: -201.638 flat angles P-C4'-P energy: -109.388 tors. eta vs tors. theta energy: -212.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -2220.691245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.691245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.691245 (E_RNA) where: Base-Base interactions energy: -1408.472 where: short stacking energy: -681.687 Base-Backbone interact. energy: -3.497 local terms energy: -808.721910 where: bonds (distance) C4'-P energy: -160.723 bonds (distance) P-C4' energy: -171.898 flat angles C4'-P-C4' energy: -178.361 flat angles P-C4'-P energy: -124.799 tors. eta vs tors. theta energy: -172.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1913.039508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.039508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.039508 (E_RNA) where: Base-Base interactions energy: -1157.372 where: short stacking energy: -601.046 Base-Backbone interact. energy: -2.238 local terms energy: -753.429218 where: bonds (distance) C4'-P energy: -157.036 bonds (distance) P-C4' energy: -176.241 flat angles C4'-P-C4' energy: -163.929 flat angles P-C4'-P energy: -123.987 tors. eta vs tors. theta energy: -132.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1879.960009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.960009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.960009 (E_RNA) where: Base-Base interactions energy: -1154.387 where: short stacking energy: -575.648 Base-Backbone interact. energy: -3.382 local terms energy: -722.191001 where: bonds (distance) C4'-P energy: -163.595 bonds (distance) P-C4' energy: -155.363 flat angles C4'-P-C4' energy: -155.294 flat angles P-C4'-P energy: -106.105 tors. eta vs tors. theta energy: -141.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1574.898484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.898484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.898484 (E_RNA) where: Base-Base interactions energy: -961.170 where: short stacking energy: -494.376 Base-Backbone interact. energy: -2.892 local terms energy: -610.836347 where: bonds (distance) C4'-P energy: -137.218 bonds (distance) P-C4' energy: -163.380 flat angles C4'-P-C4' energy: -136.464 flat angles P-C4'-P energy: -85.451 tors. eta vs tors. theta energy: -88.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -1481.472185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.472185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.472185 (E_RNA) where: Base-Base interactions energy: -869.879 where: short stacking energy: -460.332 Base-Backbone interact. energy: 1.728 local terms energy: -613.321143 where: bonds (distance) C4'-P energy: -150.427 bonds (distance) P-C4' energy: -161.437 flat angles C4'-P-C4' energy: -159.299 flat angles P-C4'-P energy: -70.702 tors. eta vs tors. theta energy: -71.455 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: 10 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -1444.910207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.910207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.910207 (E_RNA) where: Base-Base interactions energy: -866.647 where: short stacking energy: -413.766 Base-Backbone interact. energy: -0.182 local terms energy: -578.081592 where: bonds (distance) C4'-P energy: -144.177 bonds (distance) P-C4' energy: -144.065 flat angles C4'-P-C4' energy: -154.481 flat angles P-C4'-P energy: -84.091 tors. eta vs tors. theta energy: -51.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -998.606054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.606054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.606054 (E_RNA) where: Base-Base interactions energy: -500.100 where: short stacking energy: -293.301 Base-Backbone interact. energy: 9.864 local terms energy: -508.369876 where: bonds (distance) C4'-P energy: -127.327 bonds (distance) P-C4' energy: -146.148 flat angles C4'-P-C4' energy: -146.568 flat angles P-C4'-P energy: -74.695 tors. eta vs tors. theta energy: -13.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -998.329417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.329417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.329417 (E_RNA) where: Base-Base interactions energy: -515.548 where: short stacking energy: -296.177 Base-Backbone interact. energy: 1.010 local terms energy: -483.791072 where: bonds (distance) C4'-P energy: -159.994 bonds (distance) P-C4' energy: -138.316 flat angles C4'-P-C4' energy: -123.111 flat angles P-C4'-P energy: -58.504 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -2635.238449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.238449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.238449 (E_RNA) where: Base-Base interactions energy: -1731.464 where: short stacking energy: -817.761 Base-Backbone interact. energy: 2.405 local terms energy: -906.178618 where: bonds (distance) C4'-P energy: -177.680 bonds (distance) P-C4' energy: -186.395 flat angles C4'-P-C4' energy: -203.360 flat angles P-C4'-P energy: -128.318 tors. eta vs tors. theta energy: -210.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -2316.686255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.686255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.686255 (E_RNA) where: Base-Base interactions energy: -1491.693 where: short stacking energy: -766.624 Base-Backbone interact. energy: -1.669 local terms energy: -823.325062 where: bonds (distance) C4'-P energy: -139.533 bonds (distance) P-C4' energy: -181.228 flat angles C4'-P-C4' energy: -182.933 flat angles P-C4'-P energy: -130.451 tors. eta vs tors. theta energy: -189.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -2292.666041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2292.666041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2292.666041 (E_RNA) where: Base-Base interactions energy: -1501.604 where: short stacking energy: -720.194 Base-Backbone interact. energy: -6.474 local terms energy: -784.587747 where: bonds (distance) C4'-P energy: -159.580 bonds (distance) P-C4' energy: -171.256 flat angles C4'-P-C4' energy: -178.657 flat angles P-C4'-P energy: -116.839 tors. eta vs tors. theta energy: -158.256 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: 1 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1871.754359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.754359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.754359 (E_RNA) where: Base-Base interactions energy: -1124.164 where: short stacking energy: -591.393 Base-Backbone interact. energy: -1.777 local terms energy: -745.813902 where: bonds (distance) C4'-P energy: -146.392 bonds (distance) P-C4' energy: -189.181 flat angles C4'-P-C4' energy: -175.318 flat angles P-C4'-P energy: -95.387 tors. eta vs tors. theta energy: -139.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1872.763463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.763463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.763463 (E_RNA) where: Base-Base interactions energy: -1147.201 where: short stacking energy: -602.953 Base-Backbone interact. energy: -1.436 local terms energy: -724.126514 where: bonds (distance) C4'-P energy: -152.966 bonds (distance) P-C4' energy: -158.719 flat angles C4'-P-C4' energy: -182.667 flat angles P-C4'-P energy: -104.470 tors. eta vs tors. theta energy: -125.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1611.857187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.857187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.857187 (E_RNA) where: Base-Base interactions energy: -950.497 where: short stacking energy: -488.805 Base-Backbone interact. energy: -4.034 local terms energy: -657.326931 where: bonds (distance) C4'-P energy: -150.980 bonds (distance) P-C4' energy: -162.923 flat angles C4'-P-C4' energy: -164.990 flat angles P-C4'-P energy: -75.726 tors. eta vs tors. theta energy: -102.708 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: 10 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -1504.056831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.056831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.056831 (E_RNA) where: Base-Base interactions energy: -921.370 where: short stacking energy: -433.923 Base-Backbone interact. energy: -2.977 local terms energy: -579.710464 where: bonds (distance) C4'-P energy: -137.483 bonds (distance) P-C4' energy: -160.282 flat angles C4'-P-C4' energy: -134.249 flat angles P-C4'-P energy: -91.970 tors. eta vs tors. theta energy: -55.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -1342.182264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.182264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.182264 (E_RNA) where: Base-Base interactions energy: -799.088 where: short stacking energy: -424.259 Base-Backbone interact. energy: 1.884 local terms energy: -544.978124 where: bonds (distance) C4'-P energy: -138.643 bonds (distance) P-C4' energy: -132.012 flat angles C4'-P-C4' energy: -143.103 flat angles P-C4'-P energy: -84.192 tors. eta vs tors. theta energy: -47.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -1207.462330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.462330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.462330 (E_RNA) where: Base-Base interactions energy: -643.566 where: short stacking energy: -357.019 Base-Backbone interact. energy: -3.051 local terms energy: -560.845443 where: bonds (distance) C4'-P energy: -149.190 bonds (distance) P-C4' energy: -140.833 flat angles C4'-P-C4' energy: -150.945 flat angles P-C4'-P energy: -88.698 tors. eta vs tors. theta energy: -31.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -934.769470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.769470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.769470 (E_RNA) where: Base-Base interactions energy: -452.481 where: short stacking energy: -254.207 Base-Backbone interact. energy: -1.682 local terms energy: -480.606769 where: bonds (distance) C4'-P energy: -138.243 bonds (distance) P-C4' energy: -152.179 flat angles C4'-P-C4' energy: -125.579 flat angles P-C4'-P energy: -62.769 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -2660.872945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.872945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.872945 (E_RNA) where: Base-Base interactions energy: -1722.576 where: short stacking energy: -828.642 Base-Backbone interact. energy: -2.830 local terms energy: -935.467901 where: bonds (distance) C4'-P energy: -185.136 bonds (distance) P-C4' energy: -193.946 flat angles C4'-P-C4' energy: -198.661 flat angles P-C4'-P energy: -131.604 tors. eta vs tors. theta energy: -226.120 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: 4 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -2381.372521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2381.372521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2381.372521 (E_RNA) where: Base-Base interactions energy: -1516.336 where: short stacking energy: -719.833 Base-Backbone interact. energy: -3.462 local terms energy: -861.573870 where: bonds (distance) C4'-P energy: -170.072 bonds (distance) P-C4' energy: -182.150 flat angles C4'-P-C4' energy: -199.247 flat angles P-C4'-P energy: -125.557 tors. eta vs tors. theta energy: -184.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -2224.891324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.891324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.891324 (E_RNA) where: Base-Base interactions energy: -1388.384 where: short stacking energy: -683.972 Base-Backbone interact. energy: 0.825 local terms energy: -837.332419 where: bonds (distance) C4'-P energy: -174.960 bonds (distance) P-C4' energy: -185.415 flat angles C4'-P-C4' energy: -195.851 flat angles P-C4'-P energy: -117.584 tors. eta vs tors. theta energy: -163.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1903.261473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.261473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.261473 (E_RNA) where: Base-Base interactions energy: -1142.912 where: short stacking energy: -597.784 Base-Backbone interact. energy: 0.733 local terms energy: -761.082142 where: bonds (distance) C4'-P energy: -151.877 bonds (distance) P-C4' energy: -170.363 flat angles C4'-P-C4' energy: -169.712 flat angles P-C4'-P energy: -111.155 tors. eta vs tors. theta energy: -157.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1871.154541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.154541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.154541 (E_RNA) where: Base-Base interactions energy: -1173.734 where: short stacking energy: -600.887 Base-Backbone interact. energy: 0.397 local terms energy: -697.817608 where: bonds (distance) C4'-P energy: -159.180 bonds (distance) P-C4' energy: -136.511 flat angles C4'-P-C4' energy: -176.837 flat angles P-C4'-P energy: -93.598 tors. eta vs tors. theta energy: -131.692 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: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1643.304493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.304493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.304493 (E_RNA) where: Base-Base interactions energy: -993.510 where: short stacking energy: -501.498 Base-Backbone interact. energy: 3.090 local terms energy: -652.884573 where: bonds (distance) C4'-P energy: -139.607 bonds (distance) P-C4' energy: -167.409 flat angles C4'-P-C4' energy: -163.138 flat angles P-C4'-P energy: -81.822 tors. eta vs tors. theta energy: -100.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -1558.066261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.066261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.066261 (E_RNA) where: Base-Base interactions energy: -948.792 where: short stacking energy: -471.403 Base-Backbone interact. energy: -0.121 local terms energy: -609.153690 where: bonds (distance) C4'-P energy: -135.566 bonds (distance) P-C4' energy: -164.707 flat angles C4'-P-C4' energy: -140.545 flat angles P-C4'-P energy: -96.217 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: 8, replica: 7 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -1325.094925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.094925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.094925 (E_RNA) where: Base-Base interactions energy: -743.335 where: short stacking energy: -385.084 Base-Backbone interact. energy: 6.667 local terms energy: -588.427619 where: bonds (distance) C4'-P energy: -130.940 bonds (distance) P-C4' energy: -173.837 flat angles C4'-P-C4' energy: -133.078 flat angles P-C4'-P energy: -108.445 tors. eta vs tors. theta energy: -42.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -1117.574224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.574224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.574224 (E_RNA) where: Base-Base interactions energy: -599.908 where: short stacking energy: -355.214 Base-Backbone interact. energy: 16.563 local terms energy: -534.229494 where: bonds (distance) C4'-P energy: -138.524 bonds (distance) P-C4' energy: -151.002 flat angles C4'-P-C4' energy: -133.662 flat angles P-C4'-P energy: -66.159 tors. eta vs tors. theta energy: -44.884 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: 5 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -941.744587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.744587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.744587 (E_RNA) where: Base-Base interactions energy: -447.048 where: short stacking energy: -229.354 Base-Backbone interact. energy: 1.280 local terms energy: -495.975925 where: bonds (distance) C4'-P energy: -135.384 bonds (distance) P-C4' energy: -150.073 flat angles C4'-P-C4' energy: -118.811 flat angles P-C4'-P energy: -100.682 tors. eta vs tors. theta energy: 8.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -2641.834763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.834763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.834763 (E_RNA) where: Base-Base interactions energy: -1709.994 where: short stacking energy: -807.130 Base-Backbone interact. energy: -7.713 local terms energy: -924.127980 where: bonds (distance) C4'-P energy: -187.990 bonds (distance) P-C4' energy: -184.023 flat angles C4'-P-C4' energy: -200.369 flat angles P-C4'-P energy: -128.874 tors. eta vs tors. theta energy: -222.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -2469.223536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.223536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.223536 (E_RNA) where: Base-Base interactions energy: -1625.113 where: short stacking energy: -791.068 Base-Backbone interact. energy: 0.733 local terms energy: -844.843392 where: bonds (distance) C4'-P energy: -169.789 bonds (distance) P-C4' energy: -171.641 flat angles C4'-P-C4' energy: -198.451 flat angles P-C4'-P energy: -112.423 tors. eta vs tors. theta energy: -192.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -2254.333262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.333262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.333262 (E_RNA) where: Base-Base interactions energy: -1406.906 where: short stacking energy: -684.657 Base-Backbone interact. energy: 1.188 local terms energy: -848.614617 where: bonds (distance) C4'-P energy: -179.465 bonds (distance) P-C4' energy: -189.559 flat angles C4'-P-C4' energy: -189.268 flat angles P-C4'-P energy: -121.540 tors. eta vs tors. theta energy: -168.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1917.170104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.170104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.170104 (E_RNA) where: Base-Base interactions energy: -1159.810 where: short stacking energy: -573.472 Base-Backbone interact. energy: -1.318 local terms energy: -756.042109 where: bonds (distance) C4'-P energy: -169.875 bonds (distance) P-C4' energy: -180.917 flat angles C4'-P-C4' energy: -166.111 flat angles P-C4'-P energy: -93.140 tors. eta vs tors. theta energy: -145.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1873.687727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.687727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.687727 (E_RNA) where: Base-Base interactions energy: -1149.866 where: short stacking energy: -558.652 Base-Backbone interact. energy: 1.749 local terms energy: -725.571044 where: bonds (distance) C4'-P energy: -158.519 bonds (distance) P-C4' energy: -185.075 flat angles C4'-P-C4' energy: -172.463 flat angles P-C4'-P energy: -85.192 tors. eta vs tors. theta energy: -124.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1546.130752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.130752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.130752 (E_RNA) where: Base-Base interactions energy: -899.451 where: short stacking energy: -452.289 Base-Backbone interact. energy: 2.624 local terms energy: -649.304236 where: bonds (distance) C4'-P energy: -164.824 bonds (distance) P-C4' energy: -139.555 flat angles C4'-P-C4' energy: -171.419 flat angles P-C4'-P energy: -88.261 tors. eta vs tors. theta energy: -85.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -1622.137223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.137223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.137223 (E_RNA) where: Base-Base interactions energy: -1023.133 where: short stacking energy: -488.306 Base-Backbone interact. energy: 1.667 local terms energy: -600.671592 where: bonds (distance) C4'-P energy: -137.034 bonds (distance) P-C4' energy: -157.409 flat angles C4'-P-C4' energy: -155.197 flat angles P-C4'-P energy: -72.443 tors. eta vs tors. theta energy: -78.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -1504.544137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.544137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.544137 (E_RNA) where: Base-Base interactions energy: -896.763 where: short stacking energy: -433.958 Base-Backbone interact. energy: -4.076 local terms energy: -603.705112 where: bonds (distance) C4'-P energy: -155.111 bonds (distance) P-C4' energy: -151.453 flat angles C4'-P-C4' energy: -147.236 flat angles P-C4'-P energy: -92.000 tors. eta vs tors. theta energy: -57.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -1217.818531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.818531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.818531 (E_RNA) where: Base-Base interactions energy: -679.540 where: short stacking energy: -355.782 Base-Backbone interact. energy: 5.649 local terms energy: -543.928406 where: bonds (distance) C4'-P energy: -133.170 bonds (distance) P-C4' energy: -172.111 flat angles C4'-P-C4' energy: -127.114 flat angles P-C4'-P energy: -83.914 tors. eta vs tors. theta energy: -27.619 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: 5 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -916.734460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.734460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.734460 (E_RNA) where: Base-Base interactions energy: -453.316 where: short stacking energy: -251.142 Base-Backbone interact. energy: 3.077 local terms energy: -466.496228 where: bonds (distance) C4'-P energy: -127.741 bonds (distance) P-C4' energy: -157.064 flat angles C4'-P-C4' energy: -134.217 flat angles P-C4'-P energy: -65.135 tors. eta vs tors. theta energy: 17.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -2646.188205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.188205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.188205 (E_RNA) where: Base-Base interactions energy: -1748.800 where: short stacking energy: -825.743 Base-Backbone interact. energy: -2.747 local terms energy: -894.640606 where: bonds (distance) C4'-P energy: -172.004 bonds (distance) P-C4' energy: -179.567 flat angles C4'-P-C4' energy: -206.384 flat angles P-C4'-P energy: -129.057 tors. eta vs tors. theta energy: -207.629 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: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -2452.545576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.545576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.545576 (E_RNA) where: Base-Base interactions energy: -1567.584 where: short stacking energy: -749.172 Base-Backbone interact. energy: -1.916 local terms energy: -883.044948 where: bonds (distance) C4'-P energy: -169.428 bonds (distance) P-C4' energy: -175.731 flat angles C4'-P-C4' energy: -206.189 flat angles P-C4'-P energy: -145.942 tors. eta vs tors. theta energy: -185.755 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: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -2249.866338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.866338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.866338 (E_RNA) where: Base-Base interactions energy: -1438.242 where: short stacking energy: -710.144 Base-Backbone interact. energy: -3.079 local terms energy: -808.545199 where: bonds (distance) C4'-P energy: -172.092 bonds (distance) P-C4' energy: -178.721 flat angles C4'-P-C4' energy: -170.308 flat angles P-C4'-P energy: -110.474 tors. eta vs tors. theta energy: -176.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1923.108882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.108882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.108882 (E_RNA) where: Base-Base interactions energy: -1131.377 where: short stacking energy: -623.313 Base-Backbone interact. energy: 2.170 local terms energy: -793.901910 where: bonds (distance) C4'-P energy: -161.480 bonds (distance) P-C4' energy: -167.446 flat angles C4'-P-C4' energy: -194.039 flat angles P-C4'-P energy: -112.939 tors. eta vs tors. theta energy: -157.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1852.403422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.403422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.403422 (E_RNA) where: Base-Base interactions energy: -1142.207 where: short stacking energy: -551.554 Base-Backbone interact. energy: 1.257 local terms energy: -711.453319 where: bonds (distance) C4'-P energy: -164.490 bonds (distance) P-C4' energy: -172.072 flat angles C4'-P-C4' energy: -169.296 flat angles P-C4'-P energy: -99.426 tors. eta vs tors. theta energy: -106.169 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: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1680.323447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.323447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.323447 (E_RNA) where: Base-Base interactions energy: -1032.212 where: short stacking energy: -520.823 Base-Backbone interact. energy: 0.226 local terms energy: -648.337468 where: bonds (distance) C4'-P energy: -167.036 bonds (distance) P-C4' energy: -157.633 flat angles C4'-P-C4' energy: -165.517 flat angles P-C4'-P energy: -80.613 tors. eta vs tors. theta energy: -77.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -1449.013682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.013682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.013682 (E_RNA) where: Base-Base interactions energy: -841.763 where: short stacking energy: -442.021 Base-Backbone interact. energy: -3.442 local terms energy: -603.808716 where: bonds (distance) C4'-P energy: -125.593 bonds (distance) P-C4' energy: -156.213 flat angles C4'-P-C4' energy: -146.305 flat angles P-C4'-P energy: -101.519 tors. eta vs tors. theta energy: -74.177 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: 7 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -1507.263813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.263813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.263813 (E_RNA) where: Base-Base interactions energy: -905.681 where: short stacking energy: -457.962 Base-Backbone interact. energy: -0.617 local terms energy: -600.965784 where: bonds (distance) C4'-P energy: -133.386 bonds (distance) P-C4' energy: -158.807 flat angles C4'-P-C4' energy: -148.703 flat angles P-C4'-P energy: -81.248 tors. eta vs tors. theta energy: -78.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -1166.053518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.053518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.053518 (E_RNA) where: Base-Base interactions energy: -622.465 where: short stacking energy: -359.366 Base-Backbone interact. energy: -5.121 local terms energy: -538.466812 where: bonds (distance) C4'-P energy: -136.846 bonds (distance) P-C4' energy: -143.194 flat angles C4'-P-C4' energy: -133.999 flat angles P-C4'-P energy: -79.151 tors. eta vs tors. theta energy: -45.278 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: 5 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -960.887862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.887862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.887862 (E_RNA) where: Base-Base interactions energy: -497.298 where: short stacking energy: -314.556 Base-Backbone interact. energy: 2.252 local terms energy: -465.841921 where: bonds (distance) C4'-P energy: -126.572 bonds (distance) P-C4' energy: -139.093 flat angles C4'-P-C4' energy: -128.650 flat angles P-C4'-P energy: -59.115 tors. eta vs tors. theta energy: -12.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -2640.067231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.067231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.067231 (E_RNA) where: Base-Base interactions energy: -1730.471 where: short stacking energy: -819.411 Base-Backbone interact. energy: 0.289 local terms energy: -909.884503 where: bonds (distance) C4'-P energy: -190.476 bonds (distance) P-C4' energy: -172.141 flat angles C4'-P-C4' energy: -217.723 flat angles P-C4'-P energy: -116.500 tors. eta vs tors. theta energy: -213.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -2516.010086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.010086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.010086 (E_RNA) where: Base-Base interactions energy: -1661.571 where: short stacking energy: -777.761 Base-Backbone interact. energy: -3.364 local terms energy: -851.075102 where: bonds (distance) C4'-P energy: -185.607 bonds (distance) P-C4' energy: -158.024 flat angles C4'-P-C4' energy: -200.197 flat angles P-C4'-P energy: -120.888 tors. eta vs tors. theta energy: -186.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -2267.246373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.246373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.246373 (E_RNA) where: Base-Base interactions energy: -1451.921 where: short stacking energy: -720.770 Base-Backbone interact. energy: -2.098 local terms energy: -813.227834 where: bonds (distance) C4'-P energy: -172.781 bonds (distance) P-C4' energy: -163.902 flat angles C4'-P-C4' energy: -182.526 flat angles P-C4'-P energy: -108.790 tors. eta vs tors. theta energy: -185.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1975.709505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.709505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.709505 (E_RNA) where: Base-Base interactions energy: -1202.121 where: short stacking energy: -594.934 Base-Backbone interact. energy: -0.718 local terms energy: -772.870684 where: bonds (distance) C4'-P energy: -156.391 bonds (distance) P-C4' energy: -185.088 flat angles C4'-P-C4' energy: -191.110 flat angles P-C4'-P energy: -104.237 tors. eta vs tors. theta energy: -136.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1916.668091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1916.668091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1916.668091 (E_RNA) where: Base-Base interactions energy: -1187.617 where: short stacking energy: -578.017 Base-Backbone interact. energy: -0.385 local terms energy: -728.665836 where: bonds (distance) C4'-P energy: -168.352 bonds (distance) P-C4' energy: -180.620 flat angles C4'-P-C4' energy: -152.235 flat angles P-C4'-P energy: -102.346 tors. eta vs tors. theta energy: -125.112 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: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1736.119273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.119273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.119273 (E_RNA) where: Base-Base interactions energy: -1073.828 where: short stacking energy: -518.659 Base-Backbone interact. energy: -2.507 local terms energy: -659.784075 where: bonds (distance) C4'-P energy: -136.537 bonds (distance) P-C4' energy: -162.896 flat angles C4'-P-C4' energy: -162.777 flat angles P-C4'-P energy: -94.260 tors. eta vs tors. theta energy: -103.314 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: 7, replica: 7 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -1765.186694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.186694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.186694 (E_RNA) where: Base-Base interactions energy: -1047.090 where: short stacking energy: -509.734 Base-Backbone interact. energy: 0.917 local terms energy: -719.013998 where: bonds (distance) C4'-P energy: -158.269 bonds (distance) P-C4' energy: -165.296 flat angles C4'-P-C4' energy: -142.358 flat angles P-C4'-P energy: -125.187 tors. eta vs tors. theta energy: -127.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -1397.121737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.121737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.121737 (E_RNA) where: Base-Base interactions energy: -811.216 where: short stacking energy: -439.245 Base-Backbone interact. energy: 1.406 local terms energy: -587.312163 where: bonds (distance) C4'-P energy: -152.436 bonds (distance) P-C4' energy: -145.458 flat angles C4'-P-C4' energy: -158.431 flat angles P-C4'-P energy: -79.024 tors. eta vs tors. theta energy: -51.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -1173.330537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.330537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.330537 (E_RNA) where: Base-Base interactions energy: -614.118 where: short stacking energy: -343.205 Base-Backbone interact. energy: -2.175 local terms energy: -557.037037 where: bonds (distance) C4'-P energy: -157.638 bonds (distance) P-C4' energy: -152.097 flat angles C4'-P-C4' energy: -135.374 flat angles P-C4'-P energy: -72.820 tors. eta vs tors. theta energy: -39.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -983.418500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.418500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.418500 (E_RNA) where: Base-Base interactions energy: -480.328 where: short stacking energy: -307.994 Base-Backbone interact. energy: -0.266 local terms energy: -502.824618 where: bonds (distance) C4'-P energy: -133.333 bonds (distance) P-C4' energy: -166.588 flat angles C4'-P-C4' energy: -129.187 flat angles P-C4'-P energy: -56.547 tors. eta vs tors. theta energy: -17.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -2675.359089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.359089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.359089 (E_RNA) where: Base-Base interactions energy: -1771.865 where: short stacking energy: -839.965 Base-Backbone interact. energy: -1.566 local terms energy: -901.928454 where: bonds (distance) C4'-P energy: -174.861 bonds (distance) P-C4' energy: -192.433 flat angles C4'-P-C4' energy: -203.014 flat angles P-C4'-P energy: -119.676 tors. eta vs tors. theta energy: -211.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -2473.155510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.155510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.155510 (E_RNA) where: Base-Base interactions energy: -1623.696 where: short stacking energy: -735.460 Base-Backbone interact. energy: -1.090 local terms energy: -848.369194 where: bonds (distance) C4'-P energy: -183.357 bonds (distance) P-C4' energy: -187.429 flat angles C4'-P-C4' energy: -186.349 flat angles P-C4'-P energy: -112.792 tors. eta vs tors. theta energy: -178.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -2231.112497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2231.112497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2231.112497 (E_RNA) where: Base-Base interactions energy: -1401.712 where: short stacking energy: -744.149 Base-Backbone interact. energy: -4.535 local terms energy: -824.865933 where: bonds (distance) C4'-P energy: -176.591 bonds (distance) P-C4' energy: -153.714 flat angles C4'-P-C4' energy: -188.025 flat angles P-C4'-P energy: -123.095 tors. eta vs tors. theta energy: -183.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -2040.413827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.413827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.413827 (E_RNA) where: Base-Base interactions energy: -1258.414 where: short stacking energy: -666.435 Base-Backbone interact. energy: -4.606 local terms energy: -777.393183 where: bonds (distance) C4'-P energy: -146.729 bonds (distance) P-C4' energy: -190.278 flat angles C4'-P-C4' energy: -162.113 flat angles P-C4'-P energy: -108.518 tors. eta vs tors. theta energy: -169.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1972.984552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.984552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.984552 (E_RNA) where: Base-Base interactions energy: -1266.652 where: short stacking energy: -604.831 Base-Backbone interact. energy: -2.466 local terms energy: -703.866201 where: bonds (distance) C4'-P energy: -152.545 bonds (distance) P-C4' energy: -154.139 flat angles C4'-P-C4' energy: -164.268 flat angles P-C4'-P energy: -106.398 tors. eta vs tors. theta energy: -126.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1774.099230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.099230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.099230 (E_RNA) where: Base-Base interactions energy: -1106.591 where: short stacking energy: -548.163 Base-Backbone interact. energy: 6.102 local terms energy: -673.610195 where: bonds (distance) C4'-P energy: -147.758 bonds (distance) P-C4' energy: -163.897 flat angles C4'-P-C4' energy: -173.940 flat angles P-C4'-P energy: -99.734 tors. eta vs tors. theta energy: -88.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -1800.408742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.408742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.408742 (E_RNA) where: Base-Base interactions energy: -1137.343 where: short stacking energy: -497.408 Base-Backbone interact. energy: -4.855 local terms energy: -658.211170 where: bonds (distance) C4'-P energy: -165.232 bonds (distance) P-C4' energy: -144.767 flat angles C4'-P-C4' energy: -147.296 flat angles P-C4'-P energy: -100.621 tors. eta vs tors. theta energy: -100.294 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: 33 Temperature: 1.250000 Total energy: -1409.106554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.106554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.106554 (E_RNA) where: Base-Base interactions energy: -811.617 where: short stacking energy: -392.606 Base-Backbone interact. energy: -1.350 local terms energy: -596.139390 where: bonds (distance) C4'-P energy: -151.277 bonds (distance) P-C4' energy: -152.862 flat angles C4'-P-C4' energy: -128.072 flat angles P-C4'-P energy: -98.091 tors. eta vs tors. theta energy: -65.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -1141.995960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.995960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.995960 (E_RNA) where: Base-Base interactions energy: -608.958 where: short stacking energy: -360.475 Base-Backbone interact. energy: 11.694 local terms energy: -544.732044 where: bonds (distance) C4'-P energy: -134.299 bonds (distance) P-C4' energy: -152.433 flat angles C4'-P-C4' energy: -134.160 flat angles P-C4'-P energy: -94.550 tors. eta vs tors. theta energy: -29.289 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: 10, replica: 5 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -959.205816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.205816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.205816 (E_RNA) where: Base-Base interactions energy: -460.833 where: short stacking energy: -266.388 Base-Backbone interact. energy: 5.889 local terms energy: -504.261821 where: bonds (distance) C4'-P energy: -148.409 bonds (distance) P-C4' energy: -156.232 flat angles C4'-P-C4' energy: -137.793 flat angles P-C4'-P energy: -67.293 tors. eta vs tors. theta energy: 5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -2619.815232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.815232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.815232 (E_RNA) where: Base-Base interactions energy: -1700.320 where: short stacking energy: -793.754 Base-Backbone interact. energy: 1.280 local terms energy: -920.775551 where: bonds (distance) C4'-P energy: -179.225 bonds (distance) P-C4' energy: -188.065 flat angles C4'-P-C4' energy: -207.149 flat angles P-C4'-P energy: -127.119 tors. eta vs tors. theta energy: -219.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -2551.823287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.823287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.823287 (E_RNA) where: Base-Base interactions energy: -1668.442 where: short stacking energy: -789.241 Base-Backbone interact. energy: 4.622 local terms energy: -888.003686 where: bonds (distance) C4'-P energy: -172.467 bonds (distance) P-C4' energy: -174.976 flat angles C4'-P-C4' energy: -203.943 flat angles P-C4'-P energy: -126.971 tors. eta vs tors. theta energy: -209.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -2303.826659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.826659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.826659 (E_RNA) where: Base-Base interactions energy: -1497.457 where: short stacking energy: -759.625 Base-Backbone interact. energy: -0.554 local terms energy: -805.814895 where: bonds (distance) C4'-P energy: -149.406 bonds (distance) P-C4' energy: -146.307 flat angles C4'-P-C4' energy: -189.822 flat angles P-C4'-P energy: -132.034 tors. eta vs tors. theta energy: -188.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -2053.329291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.329291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.329291 (E_RNA) where: Base-Base interactions energy: -1306.521 where: short stacking energy: -672.757 Base-Backbone interact. energy: 6.046 local terms energy: -752.854256 where: bonds (distance) C4'-P energy: -158.649 bonds (distance) P-C4' energy: -151.677 flat angles C4'-P-C4' energy: -160.959 flat angles P-C4'-P energy: -113.309 tors. eta vs tors. theta energy: -168.261 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: 5, replica: 2 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -2072.311789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2072.311789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2072.311789 (E_RNA) where: Base-Base interactions energy: -1321.501 where: short stacking energy: -640.043 Base-Backbone interact. energy: 1.104 local terms energy: -751.914804 where: bonds (distance) C4'-P energy: -148.399 bonds (distance) P-C4' energy: -194.079 flat angles C4'-P-C4' energy: -163.447 flat angles P-C4'-P energy: -107.521 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: 6, replica: 10 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1689.899311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.899311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.899311 (E_RNA) where: Base-Base interactions energy: -1050.662 where: short stacking energy: -513.666 Base-Backbone interact. energy: 4.249 local terms energy: -643.486780 where: bonds (distance) C4'-P energy: -163.151 bonds (distance) P-C4' energy: -153.940 flat angles C4'-P-C4' energy: -153.901 flat angles P-C4'-P energy: -75.480 tors. eta vs tors. theta energy: -97.014 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: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -1756.302756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.302756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.302756 (E_RNA) where: Base-Base interactions energy: -1108.306 where: short stacking energy: -495.418 Base-Backbone interact. energy: -2.067 local terms energy: -645.929872 where: bonds (distance) C4'-P energy: -147.974 bonds (distance) P-C4' energy: -173.226 flat angles C4'-P-C4' energy: -134.403 flat angles P-C4'-P energy: -106.638 tors. eta vs tors. theta energy: -83.689 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: 34 Temperature: 1.250000 Total energy: -1442.616735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.616735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.616735 (E_RNA) where: Base-Base interactions energy: -843.152 where: short stacking energy: -430.819 Base-Backbone interact. energy: 1.811 local terms energy: -601.275465 where: bonds (distance) C4'-P energy: -133.826 bonds (distance) P-C4' energy: -164.126 flat angles C4'-P-C4' energy: -142.141 flat angles P-C4'-P energy: -80.173 tors. eta vs tors. theta energy: -81.010 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: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -1169.556687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.556687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.556687 (E_RNA) where: Base-Base interactions energy: -644.504 where: short stacking energy: -338.358 Base-Backbone interact. energy: 1.627 local terms energy: -526.679631 where: bonds (distance) C4'-P energy: -138.567 bonds (distance) P-C4' energy: -128.223 flat angles C4'-P-C4' energy: -152.206 flat angles P-C4'-P energy: -91.142 tors. eta vs tors. theta energy: -16.542 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: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -1000.082016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.082016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.082016 (E_RNA) where: Base-Base interactions energy: -513.084 where: short stacking energy: -292.784 Base-Backbone interact. energy: 1.052 local terms energy: -488.050786 where: bonds (distance) C4'-P energy: -118.769 bonds (distance) P-C4' energy: -149.722 flat angles C4'-P-C4' energy: -130.283 flat angles P-C4'-P energy: -81.900 tors. eta vs tors. theta energy: -7.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -2632.461795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.461795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.461795 (E_RNA) where: Base-Base interactions energy: -1723.845 where: short stacking energy: -840.338 Base-Backbone interact. energy: 2.958 local terms energy: -911.574827 where: bonds (distance) C4'-P energy: -172.191 bonds (distance) P-C4' energy: -198.132 flat angles C4'-P-C4' energy: -210.378 flat angles P-C4'-P energy: -110.814 tors. eta vs tors. theta energy: -220.059 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: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -2537.527810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.527810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.527810 (E_RNA) where: Base-Base interactions energy: -1675.988 where: short stacking energy: -783.049 Base-Backbone interact. energy: -1.009 local terms energy: -860.530679 where: bonds (distance) C4'-P energy: -179.333 bonds (distance) P-C4' energy: -179.040 flat angles C4'-P-C4' energy: -190.104 flat angles P-C4'-P energy: -115.906 tors. eta vs tors. theta energy: -196.148 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: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -2348.279936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.279936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.279936 (E_RNA) where: Base-Base interactions energy: -1498.486 where: short stacking energy: -761.691 Base-Backbone interact. energy: -0.367 local terms energy: -849.426809 where: bonds (distance) C4'-P energy: -155.758 bonds (distance) P-C4' energy: -174.363 flat angles C4'-P-C4' energy: -193.712 flat angles P-C4'-P energy: -123.016 tors. eta vs tors. theta energy: -202.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -2024.983810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.983810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.983810 (E_RNA) where: Base-Base interactions energy: -1271.985 where: short stacking energy: -658.737 Base-Backbone interact. energy: -2.223 local terms energy: -750.775481 where: bonds (distance) C4'-P energy: -144.578 bonds (distance) P-C4' energy: -162.441 flat angles C4'-P-C4' energy: -173.453 flat angles P-C4'-P energy: -98.351 tors. eta vs tors. theta energy: -171.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -2050.033347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2050.033347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2050.033347 (E_RNA) where: Base-Base interactions energy: -1314.572 where: short stacking energy: -624.846 Base-Backbone interact. energy: -3.609 local terms energy: -731.853123 where: bonds (distance) C4'-P energy: -151.846 bonds (distance) P-C4' energy: -156.184 flat angles C4'-P-C4' energy: -171.498 flat angles P-C4'-P energy: -112.545 tors. eta vs tors. theta energy: -139.780 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: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1920.131999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.131999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.131999 (E_RNA) where: Base-Base interactions energy: -1204.863 where: short stacking energy: -572.821 Base-Backbone interact. energy: 0.925 local terms energy: -716.194957 where: bonds (distance) C4'-P energy: -163.303 bonds (distance) P-C4' energy: -164.673 flat angles C4'-P-C4' energy: -160.029 flat angles P-C4'-P energy: -100.866 tors. eta vs tors. theta energy: -127.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -1698.910091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.910091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.910091 (E_RNA) where: Base-Base interactions energy: -1028.090 where: short stacking energy: -505.786 Base-Backbone interact. energy: -0.111 local terms energy: -670.708353 where: bonds (distance) C4'-P energy: -152.443 bonds (distance) P-C4' energy: -157.292 flat angles C4'-P-C4' energy: -162.216 flat angles P-C4'-P energy: -97.445 tors. eta vs tors. theta energy: -101.313 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: 3 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -1463.319195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.319195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.319195 (E_RNA) where: Base-Base interactions energy: -861.511 where: short stacking energy: -437.722 Base-Backbone interact. energy: -0.318 local terms energy: -601.489621 where: bonds (distance) C4'-P energy: -142.484 bonds (distance) P-C4' energy: -161.300 flat angles C4'-P-C4' energy: -149.030 flat angles P-C4'-P energy: -89.441 tors. eta vs tors. theta energy: -59.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -1231.042359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.042359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.042359 (E_RNA) where: Base-Base interactions energy: -675.872 where: short stacking energy: -352.954 Base-Backbone interact. energy: -2.047 local terms energy: -553.123966 where: bonds (distance) C4'-P energy: -127.535 bonds (distance) P-C4' energy: -151.435 flat angles C4'-P-C4' energy: -149.288 flat angles P-C4'-P energy: -82.428 tors. eta vs tors. theta energy: -42.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -949.489791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.489791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.489791 (E_RNA) where: Base-Base interactions energy: -468.192 where: short stacking energy: -258.617 Base-Backbone interact. energy: -3.072 local terms energy: -478.226070 where: bonds (distance) C4'-P energy: -142.545 bonds (distance) P-C4' energy: -160.057 flat angles C4'-P-C4' energy: -130.346 flat angles P-C4'-P energy: -68.147 tors. eta vs tors. theta energy: 22.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -2593.683418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.683418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.683418 (E_RNA) where: Base-Base interactions energy: -1709.400 where: short stacking energy: -824.359 Base-Backbone interact. energy: -4.656 local terms energy: -879.627100 where: bonds (distance) C4'-P energy: -176.077 bonds (distance) P-C4' energy: -191.060 flat angles C4'-P-C4' energy: -183.606 flat angles P-C4'-P energy: -113.406 tors. eta vs tors. theta energy: -215.478 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: 2, replica: 4 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -2519.674190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.674190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.674190 (E_RNA) where: Base-Base interactions energy: -1626.116 where: short stacking energy: -765.854 Base-Backbone interact. energy: -4.110 local terms energy: -889.447578 where: bonds (distance) C4'-P energy: -202.893 bonds (distance) P-C4' energy: -174.904 flat angles C4'-P-C4' energy: -186.709 flat angles P-C4'-P energy: -124.786 tors. eta vs tors. theta energy: -200.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -2284.979781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.979781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.979781 (E_RNA) where: Base-Base interactions energy: -1442.983 where: short stacking energy: -720.089 Base-Backbone interact. energy: -0.999 local terms energy: -840.997596 where: bonds (distance) C4'-P energy: -167.675 bonds (distance) P-C4' energy: -173.882 flat angles C4'-P-C4' energy: -191.137 flat angles P-C4'-P energy: -105.576 tors. eta vs tors. theta energy: -202.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -2032.548945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.548945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.548945 (E_RNA) where: Base-Base interactions energy: -1229.392 where: short stacking energy: -653.462 Base-Backbone interact. energy: 0.643 local terms energy: -803.800176 where: bonds (distance) C4'-P energy: -174.151 bonds (distance) P-C4' energy: -186.704 flat angles C4'-P-C4' energy: -163.142 flat angles P-C4'-P energy: -109.874 tors. eta vs tors. theta energy: -169.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -2101.702769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2101.702769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2101.702769 (E_RNA) where: Base-Base interactions energy: -1355.217 where: short stacking energy: -644.678 Base-Backbone interact. energy: -2.894 local terms energy: -743.591653 where: bonds (distance) C4'-P energy: -156.498 bonds (distance) P-C4' energy: -163.743 flat angles C4'-P-C4' energy: -165.187 flat angles P-C4'-P energy: -106.604 tors. eta vs tors. theta energy: -151.560 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: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1947.008799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.008799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.008799 (E_RNA) where: Base-Base interactions energy: -1228.043 where: short stacking energy: -584.232 Base-Backbone interact. energy: 0.551 local terms energy: -719.516474 where: bonds (distance) C4'-P energy: -160.255 bonds (distance) P-C4' energy: -171.364 flat angles C4'-P-C4' energy: -166.618 flat angles P-C4'-P energy: -104.945 tors. eta vs tors. theta energy: -116.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1706.838345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.838345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.838345 (E_RNA) where: Base-Base interactions energy: -1055.981 where: short stacking energy: -523.441 Base-Backbone interact. energy: 4.764 local terms energy: -655.621471 where: bonds (distance) C4'-P energy: -152.067 bonds (distance) P-C4' energy: -163.061 flat angles C4'-P-C4' energy: -157.759 flat angles P-C4'-P energy: -94.369 tors. eta vs tors. theta energy: -88.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -1482.076506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.076506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.076506 (E_RNA) where: Base-Base interactions energy: -885.376 where: short stacking energy: -438.572 Base-Backbone interact. energy: -0.821 local terms energy: -595.879069 where: bonds (distance) C4'-P energy: -143.682 bonds (distance) P-C4' energy: -151.561 flat angles C4'-P-C4' energy: -152.038 flat angles P-C4'-P energy: -90.280 tors. eta vs tors. theta energy: -58.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -1232.064105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.064105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.064105 (E_RNA) where: Base-Base interactions energy: -689.494 where: short stacking energy: -353.269 Base-Backbone interact. energy: -4.440 local terms energy: -538.130304 where: bonds (distance) C4'-P energy: -145.605 bonds (distance) P-C4' energy: -151.864 flat angles C4'-P-C4' energy: -118.774 flat angles P-C4'-P energy: -86.242 tors. eta vs tors. theta energy: -35.645 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: 10, replica: 5 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -929.137073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.137073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.137073 (E_RNA) where: Base-Base interactions energy: -457.158 where: short stacking energy: -260.114 Base-Backbone interact. energy: -0.532 local terms energy: -471.446588 where: bonds (distance) C4'-P energy: -135.546 bonds (distance) P-C4' energy: -140.832 flat angles C4'-P-C4' energy: -124.894 flat angles P-C4'-P energy: -74.499 tors. eta vs tors. theta energy: 4.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -2661.465504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.465504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.465504 (E_RNA) where: Base-Base interactions energy: -1753.611 where: short stacking energy: -829.888 Base-Backbone interact. energy: -1.473 local terms energy: -906.381267 where: bonds (distance) C4'-P energy: -170.614 bonds (distance) P-C4' energy: -198.810 flat angles C4'-P-C4' energy: -202.601 flat angles P-C4'-P energy: -111.572 tors. eta vs tors. theta energy: -222.785 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: 4 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -2525.186116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.186116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.186116 (E_RNA) where: Base-Base interactions energy: -1667.128 where: short stacking energy: -794.762 Base-Backbone interact. energy: -4.209 local terms energy: -853.849284 where: bonds (distance) C4'-P energy: -171.109 bonds (distance) P-C4' energy: -148.175 flat angles C4'-P-C4' energy: -203.141 flat angles P-C4'-P energy: -122.149 tors. eta vs tors. theta energy: -209.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -2345.934575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.934575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.934575 (E_RNA) where: Base-Base interactions energy: -1504.395 where: short stacking energy: -724.812 Base-Backbone interact. energy: -0.820 local terms energy: -840.719822 where: bonds (distance) C4'-P energy: -186.580 bonds (distance) P-C4' energy: -176.716 flat angles C4'-P-C4' energy: -179.714 flat angles P-C4'-P energy: -118.675 tors. eta vs tors. theta energy: -179.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -2236.499462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.499462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.499462 (E_RNA) where: Base-Base interactions energy: -1459.553 where: short stacking energy: -705.878 Base-Backbone interact. energy: -1.807 local terms energy: -775.138953 where: bonds (distance) C4'-P energy: -151.632 bonds (distance) P-C4' energy: -160.261 flat angles C4'-P-C4' energy: -175.682 flat angles P-C4'-P energy: -112.027 tors. eta vs tors. theta energy: -175.537 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: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1982.484251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.484251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.484251 (E_RNA) where: Base-Base interactions energy: -1221.880 where: short stacking energy: -607.989 Base-Backbone interact. energy: -0.001 local terms energy: -760.603655 where: bonds (distance) C4'-P energy: -161.800 bonds (distance) P-C4' energy: -154.839 flat angles C4'-P-C4' energy: -184.853 flat angles P-C4'-P energy: -103.053 tors. eta vs tors. theta energy: -156.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1983.410705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.410705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.410705 (E_RNA) where: Base-Base interactions energy: -1253.969 where: short stacking energy: -612.969 Base-Backbone interact. energy: -3.873 local terms energy: -725.568858 where: bonds (distance) C4'-P energy: -148.201 bonds (distance) P-C4' energy: -165.689 flat angles C4'-P-C4' energy: -167.243 flat angles P-C4'-P energy: -99.388 tors. eta vs tors. theta energy: -145.048 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: 10 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1743.296276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.296276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.296276 (E_RNA) where: Base-Base interactions energy: -1082.151 where: short stacking energy: -513.093 Base-Backbone interact. energy: 3.197 local terms energy: -664.341770 where: bonds (distance) C4'-P energy: -126.643 bonds (distance) P-C4' energy: -155.187 flat angles C4'-P-C4' energy: -157.624 flat angles P-C4'-P energy: -111.787 tors. eta vs tors. theta energy: -113.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -1506.116346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.116346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.116346 (E_RNA) where: Base-Base interactions energy: -889.182 where: short stacking energy: -436.299 Base-Backbone interact. energy: -0.361 local terms energy: -616.572807 where: bonds (distance) C4'-P energy: -149.141 bonds (distance) P-C4' energy: -164.956 flat angles C4'-P-C4' energy: -149.388 flat angles P-C4'-P energy: -94.317 tors. eta vs tors. theta energy: -58.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -1229.255970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.255970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.255970 (E_RNA) where: Base-Base interactions energy: -703.754 where: short stacking energy: -373.940 Base-Backbone interact. energy: -1.490 local terms energy: -524.011637 where: bonds (distance) C4'-P energy: -90.767 bonds (distance) P-C4' energy: -154.736 flat angles C4'-P-C4' energy: -147.838 flat angles P-C4'-P energy: -90.738 tors. eta vs tors. theta energy: -39.932 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: 10, replica: 5 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -840.004728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.004728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.004728 (E_RNA) where: Base-Base interactions energy: -389.562 where: short stacking energy: -248.950 Base-Backbone interact. energy: -5.353 local terms energy: -445.089804 where: bonds (distance) C4'-P energy: -128.568 bonds (distance) P-C4' energy: -153.145 flat angles C4'-P-C4' energy: -120.020 flat angles P-C4'-P energy: -72.920 tors. eta vs tors. theta energy: 29.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -2640.084066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.084066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.084066 (E_RNA) where: Base-Base interactions energy: -1766.510 where: short stacking energy: -823.102 Base-Backbone interact. energy: -4.367 local terms energy: -869.206575 where: bonds (distance) C4'-P energy: -172.524 bonds (distance) P-C4' energy: -173.982 flat angles C4'-P-C4' energy: -205.684 flat angles P-C4'-P energy: -118.208 tors. eta vs tors. theta energy: -198.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -2553.086867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.086867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.086867 (E_RNA) where: Base-Base interactions energy: -1684.597 where: short stacking energy: -800.455 Base-Backbone interact. energy: -1.179 local terms energy: -867.311676 where: bonds (distance) C4'-P energy: -162.255 bonds (distance) P-C4' energy: -177.482 flat angles C4'-P-C4' energy: -194.022 flat angles P-C4'-P energy: -126.277 tors. eta vs tors. theta energy: -207.276 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: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -2313.303464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.303464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.303464 (E_RNA) where: Base-Base interactions energy: -1476.418 where: short stacking energy: -696.874 Base-Backbone interact. energy: -1.598 local terms energy: -835.287591 where: bonds (distance) C4'-P energy: -166.864 bonds (distance) P-C4' energy: -178.029 flat angles C4'-P-C4' energy: -190.741 flat angles P-C4'-P energy: -115.853 tors. eta vs tors. theta energy: -183.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -2265.930340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.930340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.930340 (E_RNA) where: Base-Base interactions energy: -1439.964 where: short stacking energy: -689.952 Base-Backbone interact. energy: -0.891 local terms energy: -825.075936 where: bonds (distance) C4'-P energy: -162.460 bonds (distance) P-C4' energy: -168.932 flat angles C4'-P-C4' energy: -186.456 flat angles P-C4'-P energy: -128.169 tors. eta vs tors. theta energy: -179.059 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: 7 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -2015.560207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.560207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.560207 (E_RNA) where: Base-Base interactions energy: -1294.516 where: short stacking energy: -598.934 Base-Backbone interact. energy: -2.132 local terms energy: -718.912268 where: bonds (distance) C4'-P energy: -165.944 bonds (distance) P-C4' energy: -160.319 flat angles C4'-P-C4' energy: -170.172 flat angles P-C4'-P energy: -104.652 tors. eta vs tors. theta energy: -117.825 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: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1813.681632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.681632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.681632 (E_RNA) where: Base-Base interactions energy: -1104.974 where: short stacking energy: -579.743 Base-Backbone interact. energy: -1.341 local terms energy: -707.367192 where: bonds (distance) C4'-P energy: -152.389 bonds (distance) P-C4' energy: -155.904 flat angles C4'-P-C4' energy: -157.325 flat angles P-C4'-P energy: -106.059 tors. eta vs tors. theta energy: -135.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1731.006669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.006669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.006669 (E_RNA) where: Base-Base interactions energy: -1078.741 where: short stacking energy: -524.406 Base-Backbone interact. energy: 1.262 local terms energy: -653.528387 where: bonds (distance) C4'-P energy: -151.655 bonds (distance) P-C4' energy: -149.338 flat angles C4'-P-C4' energy: -155.120 flat angles P-C4'-P energy: -91.080 tors. eta vs tors. theta energy: -106.335 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: 38 Temperature: 1.250000 Total energy: -1354.783329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.783329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.783329 (E_RNA) where: Base-Base interactions energy: -814.670 where: short stacking energy: -406.498 Base-Backbone interact. energy: 3.075 local terms energy: -543.188336 where: bonds (distance) C4'-P energy: -119.331 bonds (distance) P-C4' energy: -154.196 flat angles C4'-P-C4' energy: -133.768 flat angles P-C4'-P energy: -90.208 tors. eta vs tors. theta energy: -45.685 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: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -1213.203550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.203550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.203550 (E_RNA) where: Base-Base interactions energy: -688.804 where: short stacking energy: -335.887 Base-Backbone interact. energy: 3.088 local terms energy: -527.487139 where: bonds (distance) C4'-P energy: -147.375 bonds (distance) P-C4' energy: -154.674 flat angles C4'-P-C4' energy: -118.287 flat angles P-C4'-P energy: -68.265 tors. eta vs tors. theta energy: -38.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -867.694949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.694949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.694949 (E_RNA) where: Base-Base interactions energy: -422.638 where: short stacking energy: -267.724 Base-Backbone interact. energy: 4.785 local terms energy: -449.841617 where: bonds (distance) C4'-P energy: -124.599 bonds (distance) P-C4' energy: -143.068 flat angles C4'-P-C4' energy: -112.991 flat angles P-C4'-P energy: -60.014 tors. eta vs tors. theta energy: -9.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -2656.341752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.341752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.341752 (E_RNA) where: Base-Base interactions energy: -1746.506 where: short stacking energy: -860.081 Base-Backbone interact. energy: -3.069 local terms energy: -906.767188 where: bonds (distance) C4'-P energy: -182.661 bonds (distance) P-C4' energy: -178.901 flat angles C4'-P-C4' energy: -198.178 flat angles P-C4'-P energy: -110.399 tors. eta vs tors. theta energy: -236.628 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: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -2554.061117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.061117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.061117 (E_RNA) where: Base-Base interactions energy: -1704.009 where: short stacking energy: -805.188 Base-Backbone interact. energy: -0.691 local terms energy: -849.361340 where: bonds (distance) C4'-P energy: -170.524 bonds (distance) P-C4' energy: -174.311 flat angles C4'-P-C4' energy: -191.781 flat angles P-C4'-P energy: -117.937 tors. eta vs tors. theta energy: -194.808 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: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -2339.932797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.932797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.932797 (E_RNA) where: Base-Base interactions energy: -1502.058 where: short stacking energy: -715.806 Base-Backbone interact. energy: -0.400 local terms energy: -837.474571 where: bonds (distance) C4'-P energy: -178.306 bonds (distance) P-C4' energy: -184.552 flat angles C4'-P-C4' energy: -193.476 flat angles P-C4'-P energy: -98.579 tors. eta vs tors. theta energy: -182.562 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: 2 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -2327.284379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.284379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.284379 (E_RNA) where: Base-Base interactions energy: -1490.013 where: short stacking energy: -757.040 Base-Backbone interact. energy: -2.416 local terms energy: -834.855864 where: bonds (distance) C4'-P energy: -143.533 bonds (distance) P-C4' energy: -166.737 flat angles C4'-P-C4' energy: -192.056 flat angles P-C4'-P energy: -133.193 tors. eta vs tors. theta energy: -199.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -2121.586408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2121.586408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2121.586408 (E_RNA) where: Base-Base interactions energy: -1346.404 where: short stacking energy: -641.146 Base-Backbone interact. energy: 0.906 local terms energy: -776.088908 where: bonds (distance) C4'-P energy: -172.409 bonds (distance) P-C4' energy: -182.252 flat angles C4'-P-C4' energy: -175.692 flat angles P-C4'-P energy: -88.375 tors. eta vs tors. theta energy: -157.361 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: 6, replica: 1 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1815.435855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.435855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.435855 (E_RNA) where: Base-Base interactions energy: -1117.436 where: short stacking energy: -505.873 Base-Backbone interact. energy: 0.950 local terms energy: -698.949937 where: bonds (distance) C4'-P energy: -151.033 bonds (distance) P-C4' energy: -162.457 flat angles C4'-P-C4' energy: -179.947 flat angles P-C4'-P energy: -81.887 tors. eta vs tors. theta energy: -123.626 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: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1654.893852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.893852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.893852 (E_RNA) where: Base-Base interactions energy: -1029.118 where: short stacking energy: -482.151 Base-Backbone interact. energy: -0.244 local terms energy: -625.532226 where: bonds (distance) C4'-P energy: -164.504 bonds (distance) P-C4' energy: -163.345 flat angles C4'-P-C4' energy: -133.686 flat angles P-C4'-P energy: -78.263 tors. eta vs tors. theta energy: -85.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -1339.031784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.031784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.031784 (E_RNA) where: Base-Base interactions energy: -750.740 where: short stacking energy: -373.029 Base-Backbone interact. energy: -3.490 local terms energy: -584.801992 where: bonds (distance) C4'-P energy: -139.833 bonds (distance) P-C4' energy: -161.395 flat angles C4'-P-C4' energy: -145.243 flat angles P-C4'-P energy: -83.968 tors. eta vs tors. theta energy: -54.363 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: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -1309.186088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.186088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.186088 (E_RNA) where: Base-Base interactions energy: -767.829 where: short stacking energy: -407.283 Base-Backbone interact. energy: 3.091 local terms energy: -544.448229 where: bonds (distance) C4'-P energy: -129.194 bonds (distance) P-C4' energy: -146.543 flat angles C4'-P-C4' energy: -124.116 flat angles P-C4'-P energy: -102.513 tors. eta vs tors. theta energy: -42.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -892.107650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.107650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.107650 (E_RNA) where: Base-Base interactions energy: -397.110 where: short stacking energy: -276.096 Base-Backbone interact. energy: -0.993 local terms energy: -494.005069 where: bonds (distance) C4'-P energy: -149.514 bonds (distance) P-C4' energy: -150.655 flat angles C4'-P-C4' energy: -112.826 flat angles P-C4'-P energy: -72.271 tors. eta vs tors. theta energy: -8.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -2666.073940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.073940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.073940 (E_RNA) where: Base-Base interactions energy: -1760.080 where: short stacking energy: -867.466 Base-Backbone interact. energy: -4.758 local terms energy: -901.235227 where: bonds (distance) C4'-P energy: -170.696 bonds (distance) P-C4' energy: -183.514 flat angles C4'-P-C4' energy: -184.114 flat angles P-C4'-P energy: -124.376 tors. eta vs tors. theta energy: -238.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -2596.247859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.247859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.247859 (E_RNA) where: Base-Base interactions energy: -1699.608 where: short stacking energy: -809.407 Base-Backbone interact. energy: -3.294 local terms energy: -893.346036 where: bonds (distance) C4'-P energy: -157.934 bonds (distance) P-C4' energy: -184.281 flat angles C4'-P-C4' energy: -195.936 flat angles P-C4'-P energy: -139.996 tors. eta vs tors. theta energy: -215.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -2332.299937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.299937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.299937 (E_RNA) where: Base-Base interactions energy: -1521.812 where: short stacking energy: -695.013 Base-Backbone interact. energy: -2.579 local terms energy: -807.908157 where: bonds (distance) C4'-P energy: -176.771 bonds (distance) P-C4' energy: -172.014 flat angles C4'-P-C4' energy: -180.982 flat angles P-C4'-P energy: -108.660 tors. eta vs tors. theta energy: -169.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -2308.079159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.079159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.079159 (E_RNA) where: Base-Base interactions energy: -1501.658 where: short stacking energy: -711.635 Base-Backbone interact. energy: -2.612 local terms energy: -803.809449 where: bonds (distance) C4'-P energy: -160.064 bonds (distance) P-C4' energy: -174.548 flat angles C4'-P-C4' energy: -176.488 flat angles P-C4'-P energy: -108.936 tors. eta vs tors. theta energy: -183.774 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: 5, replica: 7 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -2133.750418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.750418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.750418 (E_RNA) where: Base-Base interactions energy: -1343.720 where: short stacking energy: -646.047 Base-Backbone interact. energy: -0.570 local terms energy: -789.459762 where: bonds (distance) C4'-P energy: -165.924 bonds (distance) P-C4' energy: -180.098 flat angles C4'-P-C4' energy: -175.123 flat angles P-C4'-P energy: -107.920 tors. eta vs tors. theta energy: -160.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1717.050584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.050584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.050584 (E_RNA) where: Base-Base interactions energy: -1045.262 where: short stacking energy: -498.967 Base-Backbone interact. energy: 2.849 local terms energy: -674.638249 where: bonds (distance) C4'-P energy: -152.110 bonds (distance) P-C4' energy: -167.357 flat angles C4'-P-C4' energy: -152.110 flat angles P-C4'-P energy: -109.604 tors. eta vs tors. theta energy: -93.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -1709.981244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.981244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.981244 (E_RNA) where: Base-Base interactions energy: -1033.817 where: short stacking energy: -497.167 Base-Backbone interact. energy: -2.537 local terms energy: -673.627451 where: bonds (distance) C4'-P energy: -158.111 bonds (distance) P-C4' energy: -149.549 flat angles C4'-P-C4' energy: -162.433 flat angles P-C4'-P energy: -99.561 tors. eta vs tors. theta energy: -103.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -1238.682805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.682805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.682805 (E_RNA) where: Base-Base interactions energy: -670.063 where: short stacking energy: -358.324 Base-Backbone interact. energy: 15.093 local terms energy: -583.712754 where: bonds (distance) C4'-P energy: -160.810 bonds (distance) P-C4' energy: -156.079 flat angles C4'-P-C4' energy: -135.908 flat angles P-C4'-P energy: -82.583 tors. eta vs tors. theta energy: -48.333 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: 9, replica: 9 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -1351.977706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.977706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.977706 (E_RNA) where: Base-Base interactions energy: -779.858 where: short stacking energy: -385.917 Base-Backbone interact. energy: -1.157 local terms energy: -570.962553 where: bonds (distance) C4'-P energy: -140.228 bonds (distance) P-C4' energy: -144.154 flat angles C4'-P-C4' energy: -169.141 flat angles P-C4'-P energy: -76.482 tors. eta vs tors. theta energy: -40.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -851.069228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.069228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.069228 (E_RNA) where: Base-Base interactions energy: -400.385 where: short stacking energy: -248.454 Base-Backbone interact. energy: 4.499 local terms energy: -455.183090 where: bonds (distance) C4'-P energy: -132.223 bonds (distance) P-C4' energy: -150.627 flat angles C4'-P-C4' energy: -130.468 flat angles P-C4'-P energy: -85.378 tors. eta vs tors. theta energy: 43.511 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: 8 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -2655.827312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.827312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.827312 (E_RNA) where: Base-Base interactions energy: -1743.251 where: short stacking energy: -837.980 Base-Backbone interact. energy: -3.994 local terms energy: -908.582214 where: bonds (distance) C4'-P energy: -178.513 bonds (distance) P-C4' energy: -168.373 flat angles C4'-P-C4' energy: -206.963 flat angles P-C4'-P energy: -122.670 tors. eta vs tors. theta energy: -232.062 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: 2, replica: 4 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -2571.465371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.465371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.465371 (E_RNA) where: Base-Base interactions energy: -1695.544 where: short stacking energy: -777.249 Base-Backbone interact. energy: -3.487 local terms energy: -872.434727 where: bonds (distance) C4'-P energy: -175.475 bonds (distance) P-C4' energy: -177.365 flat angles C4'-P-C4' energy: -190.019 flat angles P-C4'-P energy: -126.571 tors. eta vs tors. theta energy: -203.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -2361.412298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.412298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.412298 (E_RNA) where: Base-Base interactions energy: -1548.651 where: short stacking energy: -751.982 Base-Backbone interact. energy: 0.583 local terms energy: -813.344399 where: bonds (distance) C4'-P energy: -161.536 bonds (distance) P-C4' energy: -180.408 flat angles C4'-P-C4' energy: -174.034 flat angles P-C4'-P energy: -111.383 tors. eta vs tors. theta energy: -185.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -2371.777705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2371.777705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2371.777705 (E_RNA) where: Base-Base interactions energy: -1557.125 where: short stacking energy: -734.540 Base-Backbone interact. energy: -1.558 local terms energy: -813.094513 where: bonds (distance) C4'-P energy: -163.198 bonds (distance) P-C4' energy: -165.498 flat angles C4'-P-C4' energy: -185.318 flat angles P-C4'-P energy: -112.693 tors. eta vs tors. theta energy: -186.388 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: 7 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -2103.760762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.760762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.760762 (E_RNA) where: Base-Base interactions energy: -1351.207 where: short stacking energy: -647.777 Base-Backbone interact. energy: 1.574 local terms energy: -754.127431 where: bonds (distance) C4'-P energy: -143.802 bonds (distance) P-C4' energy: -172.672 flat angles C4'-P-C4' energy: -174.580 flat angles P-C4'-P energy: -118.675 tors. eta vs tors. theta energy: -144.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1739.173572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.173572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.173572 (E_RNA) where: Base-Base interactions energy: -1075.298 where: short stacking energy: -493.068 Base-Backbone interact. energy: 1.749 local terms energy: -665.624447 where: bonds (distance) C4'-P energy: -138.240 bonds (distance) P-C4' energy: -155.140 flat angles C4'-P-C4' energy: -171.383 flat angles P-C4'-P energy: -104.953 tors. eta vs tors. theta energy: -95.908 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: 7, replica: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1735.978277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.978277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.978277 (E_RNA) where: Base-Base interactions energy: -1089.381 where: short stacking energy: -516.692 Base-Backbone interact. energy: -0.646 local terms energy: -645.951106 where: bonds (distance) C4'-P energy: -148.369 bonds (distance) P-C4' energy: -141.315 flat angles C4'-P-C4' energy: -164.354 flat angles P-C4'-P energy: -95.306 tors. eta vs tors. theta energy: -96.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -1527.323769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.323769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.323769 (E_RNA) where: Base-Base interactions energy: -899.634 where: short stacking energy: -437.505 Base-Backbone interact. energy: 1.372 local terms energy: -629.061314 where: bonds (distance) C4'-P energy: -153.926 bonds (distance) P-C4' energy: -159.808 flat angles C4'-P-C4' energy: -150.059 flat angles P-C4'-P energy: -98.676 tors. eta vs tors. theta energy: -66.592 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: 9, replica: 3 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -1188.633939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.633939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.633939 (E_RNA) where: Base-Base interactions energy: -706.512 where: short stacking energy: -368.284 Base-Backbone interact. energy: 3.015 local terms energy: -485.137400 where: bonds (distance) C4'-P energy: -123.149 bonds (distance) P-C4' energy: -148.094 flat angles C4'-P-C4' energy: -127.751 flat angles P-C4'-P energy: -66.949 tors. eta vs tors. theta energy: -19.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -884.011874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.011874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.011874 (E_RNA) where: Base-Base interactions energy: -437.820 where: short stacking energy: -263.874 Base-Backbone interact. energy: 5.672 local terms energy: -451.864546 where: bonds (distance) C4'-P energy: -137.399 bonds (distance) P-C4' energy: -160.439 flat angles C4'-P-C4' energy: -132.649 flat angles P-C4'-P energy: -43.680 tors. eta vs tors. theta energy: 22.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -2686.822561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.822561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.822561 (E_RNA) where: Base-Base interactions energy: -1763.966 where: short stacking energy: -830.456 Base-Backbone interact. energy: -2.426 local terms energy: -920.430216 where: bonds (distance) C4'-P energy: -181.135 bonds (distance) P-C4' energy: -181.779 flat angles C4'-P-C4' energy: -190.804 flat angles P-C4'-P energy: -146.302 tors. eta vs tors. theta energy: -220.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -2558.217443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.217443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.217443 (E_RNA) where: Base-Base interactions energy: -1666.088 where: short stacking energy: -798.337 Base-Backbone interact. energy: -5.239 local terms energy: -886.890432 where: bonds (distance) C4'-P energy: -167.483 bonds (distance) P-C4' energy: -182.889 flat angles C4'-P-C4' energy: -202.457 flat angles P-C4'-P energy: -114.623 tors. eta vs tors. theta energy: -219.438 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: 3, replica: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -2423.046146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.046146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.046146 (E_RNA) where: Base-Base interactions energy: -1596.676 where: short stacking energy: -767.394 Base-Backbone interact. energy: -5.338 local terms energy: -821.032459 where: bonds (distance) C4'-P energy: -159.211 bonds (distance) P-C4' energy: -160.590 flat angles C4'-P-C4' energy: -193.635 flat angles P-C4'-P energy: -113.407 tors. eta vs tors. theta energy: -194.189 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: 6 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -2282.769630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.769630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.769630 (E_RNA) where: Base-Base interactions energy: -1505.950 where: short stacking energy: -683.476 Base-Backbone interact. energy: -2.948 local terms energy: -773.871361 where: bonds (distance) C4'-P energy: -153.817 bonds (distance) P-C4' energy: -161.231 flat angles C4'-P-C4' energy: -168.873 flat angles P-C4'-P energy: -126.945 tors. eta vs tors. theta energy: -163.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -2159.538471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.538471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.538471 (E_RNA) where: Base-Base interactions energy: -1400.555 where: short stacking energy: -668.085 Base-Backbone interact. energy: -1.013 local terms energy: -757.969597 where: bonds (distance) C4'-P energy: -163.823 bonds (distance) P-C4' energy: -164.452 flat angles C4'-P-C4' energy: -180.396 flat angles P-C4'-P energy: -105.362 tors. eta vs tors. theta energy: -143.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1876.591741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.591741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.591741 (E_RNA) where: Base-Base interactions energy: -1138.586 where: short stacking energy: -549.773 Base-Backbone interact. energy: 1.292 local terms energy: -739.297086 where: bonds (distance) C4'-P energy: -137.259 bonds (distance) P-C4' energy: -177.141 flat angles C4'-P-C4' energy: -182.080 flat angles P-C4'-P energy: -112.533 tors. eta vs tors. theta energy: -130.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1766.161387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.161387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.161387 (E_RNA) where: Base-Base interactions energy: -1137.942 where: short stacking energy: -512.901 Base-Backbone interact. energy: 0.433 local terms energy: -628.652218 where: bonds (distance) C4'-P energy: -132.605 bonds (distance) P-C4' energy: -148.452 flat angles C4'-P-C4' energy: -160.225 flat angles P-C4'-P energy: -90.019 tors. eta vs tors. theta energy: -97.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -1454.947907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.947907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.947907 (E_RNA) where: Base-Base interactions energy: -879.625 where: short stacking energy: -442.030 Base-Backbone interact. energy: -1.178 local terms energy: -574.144986 where: bonds (distance) C4'-P energy: -152.027 bonds (distance) P-C4' energy: -140.972 flat angles C4'-P-C4' energy: -130.373 flat angles P-C4'-P energy: -89.948 tors. eta vs tors. theta energy: -60.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -1150.837903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.837903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.837903 (E_RNA) where: Base-Base interactions energy: -604.439 where: short stacking energy: -322.281 Base-Backbone interact. energy: -2.692 local terms energy: -543.707301 where: bonds (distance) C4'-P energy: -131.300 bonds (distance) P-C4' energy: -178.895 flat angles C4'-P-C4' energy: -127.190 flat angles P-C4'-P energy: -96.227 tors. eta vs tors. theta energy: -10.095 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: 5 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -856.145036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.145036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.145036 (E_RNA) where: Base-Base interactions energy: -379.160 where: short stacking energy: -242.924 Base-Backbone interact. energy: 1.664 local terms energy: -478.648140 where: bonds (distance) C4'-P energy: -136.009 bonds (distance) P-C4' energy: -151.019 flat angles C4'-P-C4' energy: -137.649 flat angles P-C4'-P energy: -73.055 tors. eta vs tors. theta energy: 19.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -2666.003154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2666.003154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2666.003154 (E_RNA) where: Base-Base interactions energy: -1736.080 where: short stacking energy: -801.984 Base-Backbone interact. energy: -5.086 local terms energy: -924.837050 where: bonds (distance) C4'-P energy: -180.195 bonds (distance) P-C4' energy: -198.479 flat angles C4'-P-C4' energy: -197.319 flat angles P-C4'-P energy: -138.320 tors. eta vs tors. theta energy: -210.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -2576.613605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.613605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.613605 (E_RNA) where: Base-Base interactions energy: -1713.560 where: short stacking energy: -803.069 Base-Backbone interact. energy: -3.737 local terms energy: -859.316929 where: bonds (distance) C4'-P energy: -175.246 bonds (distance) P-C4' energy: -173.255 flat angles C4'-P-C4' energy: -206.151 flat angles P-C4'-P energy: -95.676 tors. eta vs tors. theta energy: -208.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -2451.627356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.627356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.627356 (E_RNA) where: Base-Base interactions energy: -1589.101 where: short stacking energy: -785.639 Base-Backbone interact. energy: -3.164 local terms energy: -859.362781 where: bonds (distance) C4'-P energy: -151.611 bonds (distance) P-C4' energy: -178.606 flat angles C4'-P-C4' energy: -196.853 flat angles P-C4'-P energy: -131.614 tors. eta vs tors. theta energy: -200.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -2317.500143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.500143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.500143 (E_RNA) where: Base-Base interactions energy: -1525.869 where: short stacking energy: -694.357 Base-Backbone interact. energy: 3.639 local terms energy: -795.269860 where: bonds (distance) C4'-P energy: -158.034 bonds (distance) P-C4' energy: -170.303 flat angles C4'-P-C4' energy: -175.075 flat angles P-C4'-P energy: -99.866 tors. eta vs tors. theta energy: -191.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -2132.719842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2132.719842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2132.719842 (E_RNA) where: Base-Base interactions energy: -1411.400 where: short stacking energy: -641.146 Base-Backbone interact. energy: -3.152 local terms energy: -718.168082 where: bonds (distance) C4'-P energy: -138.311 bonds (distance) P-C4' energy: -174.095 flat angles C4'-P-C4' energy: -160.002 flat angles P-C4'-P energy: -111.980 tors. eta vs tors. theta energy: -133.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1910.109622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.109622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.109622 (E_RNA) where: Base-Base interactions energy: -1217.473 where: short stacking energy: -535.584 Base-Backbone interact. energy: 0.495 local terms energy: -693.132032 where: bonds (distance) C4'-P energy: -157.679 bonds (distance) P-C4' energy: -163.468 flat angles C4'-P-C4' energy: -187.688 flat angles P-C4'-P energy: -102.475 tors. eta vs tors. theta energy: -81.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1682.778668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.778668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.778668 (E_RNA) where: Base-Base interactions energy: -1006.270 where: short stacking energy: -505.541 Base-Backbone interact. energy: -1.012 local terms energy: -675.496355 where: bonds (distance) C4'-P energy: -151.649 bonds (distance) P-C4' energy: -179.107 flat angles C4'-P-C4' energy: -148.503 flat angles P-C4'-P energy: -94.641 tors. eta vs tors. theta energy: -101.597 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: 9 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -1471.375701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.375701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.375701 (E_RNA) where: Base-Base interactions energy: -841.244 where: short stacking energy: -401.603 Base-Backbone interact. energy: -1.180 local terms energy: -628.950912 where: bonds (distance) C4'-P energy: -163.655 bonds (distance) P-C4' energy: -156.361 flat angles C4'-P-C4' energy: -170.769 flat angles P-C4'-P energy: -90.434 tors. eta vs tors. theta energy: -47.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -1211.890422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.890422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.890422 (E_RNA) where: Base-Base interactions energy: -647.410 where: short stacking energy: -335.136 Base-Backbone interact. energy: -1.907 local terms energy: -562.574090 where: bonds (distance) C4'-P energy: -140.692 bonds (distance) P-C4' energy: -158.827 flat angles C4'-P-C4' energy: -135.357 flat angles P-C4'-P energy: -95.696 tors. eta vs tors. theta energy: -32.002 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: 5 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -898.222037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.222037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.222037 (E_RNA) where: Base-Base interactions energy: -414.991 where: short stacking energy: -255.706 Base-Backbone interact. energy: 3.995 local terms energy: -487.225404 where: bonds (distance) C4'-P energy: -144.676 bonds (distance) P-C4' energy: -153.191 flat angles C4'-P-C4' energy: -113.333 flat angles P-C4'-P energy: -85.247 tors. eta vs tors. theta energy: 9.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -2658.780200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2658.780200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2658.780200 (E_RNA) where: Base-Base interactions energy: -1748.117 where: short stacking energy: -807.789 Base-Backbone interact. energy: -2.157 local terms energy: -908.506137 where: bonds (distance) C4'-P energy: -171.887 bonds (distance) P-C4' energy: -177.830 flat angles C4'-P-C4' energy: -206.602 flat angles P-C4'-P energy: -130.218 tors. eta vs tors. theta energy: -221.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -2622.806006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.806006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.806006 (E_RNA) where: Base-Base interactions energy: -1741.397 where: short stacking energy: -802.479 Base-Backbone interact. energy: -4.261 local terms energy: -877.147813 where: bonds (distance) C4'-P energy: -174.521 bonds (distance) P-C4' energy: -182.717 flat angles C4'-P-C4' energy: -198.477 flat angles P-C4'-P energy: -123.792 tors. eta vs tors. theta energy: -197.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -2461.235789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.235789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.235789 (E_RNA) where: Base-Base interactions energy: -1610.197 where: short stacking energy: -764.233 Base-Backbone interact. energy: -3.424 local terms energy: -847.615037 where: bonds (distance) C4'-P energy: -174.376 bonds (distance) P-C4' energy: -175.105 flat angles C4'-P-C4' energy: -192.478 flat angles P-C4'-P energy: -117.732 tors. eta vs tors. theta energy: -187.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -2311.222458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2311.222458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2311.222458 (E_RNA) where: Base-Base interactions energy: -1532.114 where: short stacking energy: -726.540 Base-Backbone interact. energy: -3.368 local terms energy: -775.740801 where: bonds (distance) C4'-P energy: -153.288 bonds (distance) P-C4' energy: -147.686 flat angles C4'-P-C4' energy: -188.678 flat angles P-C4'-P energy: -94.843 tors. eta vs tors. theta energy: -191.246 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: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -2139.402470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.402470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.402470 (E_RNA) where: Base-Base interactions energy: -1381.842 where: short stacking energy: -628.065 Base-Backbone interact. energy: 5.352 local terms energy: -762.912690 where: bonds (distance) C4'-P energy: -158.983 bonds (distance) P-C4' energy: -153.199 flat angles C4'-P-C4' energy: -175.372 flat angles P-C4'-P energy: -119.260 tors. eta vs tors. theta energy: -156.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -2019.490253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.490253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.490253 (E_RNA) where: Base-Base interactions energy: -1283.621 where: short stacking energy: -602.335 Base-Backbone interact. energy: -3.979 local terms energy: -731.889643 where: bonds (distance) C4'-P energy: -154.176 bonds (distance) P-C4' energy: -180.422 flat angles C4'-P-C4' energy: -166.180 flat angles P-C4'-P energy: -97.779 tors. eta vs tors. theta energy: -133.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -1742.032199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.032199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.032199 (E_RNA) where: Base-Base interactions energy: -1059.881 where: short stacking energy: -554.927 Base-Backbone interact. energy: 3.467 local terms energy: -685.618541 where: bonds (distance) C4'-P energy: -152.194 bonds (distance) P-C4' energy: -155.696 flat angles C4'-P-C4' energy: -153.612 flat angles P-C4'-P energy: -114.712 tors. eta vs tors. theta energy: -109.404 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: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -1479.829354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.829354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.829354 (E_RNA) where: Base-Base interactions energy: -884.021 where: short stacking energy: -436.331 Base-Backbone interact. energy: -5.080 local terms energy: -590.728022 where: bonds (distance) C4'-P energy: -150.344 bonds (distance) P-C4' energy: -153.709 flat angles C4'-P-C4' energy: -152.227 flat angles P-C4'-P energy: -62.815 tors. eta vs tors. theta energy: -71.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -1096.500326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.500326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.500326 (E_RNA) where: Base-Base interactions energy: -592.039 where: short stacking energy: -328.209 Base-Backbone interact. energy: -2.365 local terms energy: -502.096147 where: bonds (distance) C4'-P energy: -127.158 bonds (distance) P-C4' energy: -141.890 flat angles C4'-P-C4' energy: -134.346 flat angles P-C4'-P energy: -82.243 tors. eta vs tors. theta energy: -16.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -836.997450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.997450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.997450 (E_RNA) where: Base-Base interactions energy: -366.783 where: short stacking energy: -220.198 Base-Backbone interact. energy: 8.253 local terms energy: -478.466756 where: bonds (distance) C4'-P energy: -125.039 bonds (distance) P-C4' energy: -147.504 flat angles C4'-P-C4' energy: -127.714 flat angles P-C4'-P energy: -95.696 tors. eta vs tors. theta energy: 17.485 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: 8 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -2685.689704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.689704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.689704 (E_RNA) where: Base-Base interactions energy: -1779.474 where: short stacking energy: -833.300 Base-Backbone interact. energy: -2.823 local terms energy: -903.393126 where: bonds (distance) C4'-P energy: -186.950 bonds (distance) P-C4' energy: -179.639 flat angles C4'-P-C4' energy: -211.954 flat angles P-C4'-P energy: -114.783 tors. eta vs tors. theta energy: -210.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -2639.510349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.510349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.510349 (E_RNA) where: Base-Base interactions energy: -1719.461 where: short stacking energy: -801.331 Base-Backbone interact. energy: -1.904 local terms energy: -918.145243 where: bonds (distance) C4'-P energy: -187.689 bonds (distance) P-C4' energy: -179.439 flat angles C4'-P-C4' energy: -200.523 flat angles P-C4'-P energy: -135.011 tors. eta vs tors. theta energy: -215.484 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: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -2602.030004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.030004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.030004 (E_RNA) where: Base-Base interactions energy: -1743.032 where: short stacking energy: -777.599 Base-Backbone interact. energy: -2.837 local terms energy: -856.160784 where: bonds (distance) C4'-P energy: -175.652 bonds (distance) P-C4' energy: -160.878 flat angles C4'-P-C4' energy: -207.627 flat angles P-C4'-P energy: -115.373 tors. eta vs tors. theta energy: -196.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -2318.553047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.553047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.553047 (E_RNA) where: Base-Base interactions energy: -1486.931 where: short stacking energy: -710.668 Base-Backbone interact. energy: -3.526 local terms energy: -828.095656 where: bonds (distance) C4'-P energy: -159.903 bonds (distance) P-C4' energy: -174.764 flat angles C4'-P-C4' energy: -182.196 flat angles P-C4'-P energy: -117.851 tors. eta vs tors. theta energy: -193.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -2166.237104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2166.237104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2166.237104 (E_RNA) where: Base-Base interactions energy: -1417.395 where: short stacking energy: -633.527 Base-Backbone interact. energy: -0.634 local terms energy: -748.208803 where: bonds (distance) C4'-P energy: -150.379 bonds (distance) P-C4' energy: -153.896 flat angles C4'-P-C4' energy: -196.168 flat angles P-C4'-P energy: -104.890 tors. eta vs tors. theta energy: -142.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -2055.466776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.466776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.466776 (E_RNA) where: Base-Base interactions energy: -1364.384 where: short stacking energy: -599.515 Base-Backbone interact. energy: -0.982 local terms energy: -690.100300 where: bonds (distance) C4'-P energy: -139.452 bonds (distance) P-C4' energy: -152.611 flat angles C4'-P-C4' energy: -160.487 flat angles P-C4'-P energy: -93.729 tors. eta vs tors. theta energy: -143.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -1712.595791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.595791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.595791 (E_RNA) where: Base-Base interactions energy: -1034.766 where: short stacking energy: -480.360 Base-Backbone interact. energy: -0.284 local terms energy: -677.545814 where: bonds (distance) C4'-P energy: -158.801 bonds (distance) P-C4' energy: -166.692 flat angles C4'-P-C4' energy: -156.394 flat angles P-C4'-P energy: -108.476 tors. eta vs tors. theta energy: -87.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -1465.352483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.352483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.352483 (E_RNA) where: Base-Base interactions energy: -869.042 where: short stacking energy: -419.625 Base-Backbone interact. energy: -1.702 local terms energy: -594.608386 where: bonds (distance) C4'-P energy: -136.930 bonds (distance) P-C4' energy: -157.852 flat angles C4'-P-C4' energy: -151.552 flat angles P-C4'-P energy: -86.203 tors. eta vs tors. theta energy: -62.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -1177.063614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.063614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.063614 (E_RNA) where: Base-Base interactions energy: -638.952 where: short stacking energy: -345.898 Base-Backbone interact. energy: -1.875 local terms energy: -536.237131 where: bonds (distance) C4'-P energy: -149.571 bonds (distance) P-C4' energy: -154.828 flat angles C4'-P-C4' energy: -132.495 flat angles P-C4'-P energy: -67.289 tors. eta vs tors. theta energy: -32.054 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: 5 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -806.656990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.656990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.656990 (E_RNA) where: Base-Base interactions energy: -353.059 where: short stacking energy: -248.791 Base-Backbone interact. energy: 4.511 local terms energy: -458.109126 where: bonds (distance) C4'-P energy: -118.736 bonds (distance) P-C4' energy: -153.959 flat angles C4'-P-C4' energy: -133.327 flat angles P-C4'-P energy: -68.212 tors. eta vs tors. theta energy: 16.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -2743.374919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.374919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.374919 (E_RNA) where: Base-Base interactions energy: -1806.177 where: short stacking energy: -842.290 Base-Backbone interact. energy: -4.258 local terms energy: -932.940177 where: bonds (distance) C4'-P energy: -177.890 bonds (distance) P-C4' energy: -200.671 flat angles C4'-P-C4' energy: -197.933 flat angles P-C4'-P energy: -127.136 tors. eta vs tors. theta energy: -229.310 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: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -2630.776584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.776584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.776584 (E_RNA) where: Base-Base interactions energy: -1737.712 where: short stacking energy: -801.685 Base-Backbone interact. energy: -1.532 local terms energy: -891.532242 where: bonds (distance) C4'-P energy: -173.565 bonds (distance) P-C4' energy: -165.057 flat angles C4'-P-C4' energy: -197.512 flat angles P-C4'-P energy: -123.651 tors. eta vs tors. theta energy: -231.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -2570.249577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2570.249577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2570.249577 (E_RNA) where: Base-Base interactions energy: -1746.336 where: short stacking energy: -779.687 Base-Backbone interact. energy: 2.330 local terms energy: -826.243622 where: bonds (distance) C4'-P energy: -170.908 bonds (distance) P-C4' energy: -165.291 flat angles C4'-P-C4' energy: -174.715 flat angles P-C4'-P energy: -125.617 tors. eta vs tors. theta energy: -189.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -2376.459544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.459544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.459544 (E_RNA) where: Base-Base interactions energy: -1536.924 where: short stacking energy: -707.494 Base-Backbone interact. energy: 0.031 local terms energy: -839.566133 where: bonds (distance) C4'-P energy: -162.744 bonds (distance) P-C4' energy: -177.767 flat angles C4'-P-C4' energy: -185.334 flat angles P-C4'-P energy: -123.754 tors. eta vs tors. theta energy: -189.967 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: 6 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -2117.839673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.839673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.839673 (E_RNA) where: Base-Base interactions energy: -1378.815 where: short stacking energy: -653.678 Base-Backbone interact. energy: 1.703 local terms energy: -740.728144 where: bonds (distance) C4'-P energy: -173.783 bonds (distance) P-C4' energy: -149.704 flat angles C4'-P-C4' energy: -178.334 flat angles P-C4'-P energy: -99.985 tors. eta vs tors. theta energy: -138.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -2035.126863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.126863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.126863 (E_RNA) where: Base-Base interactions energy: -1333.033 where: short stacking energy: -595.848 Base-Backbone interact. energy: -1.926 local terms energy: -700.167804 where: bonds (distance) C4'-P energy: -144.128 bonds (distance) P-C4' energy: -154.194 flat angles C4'-P-C4' energy: -174.824 flat angles P-C4'-P energy: -95.517 tors. eta vs tors. theta energy: -131.504 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: 7, replica: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -1719.231839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.231839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.231839 (E_RNA) where: Base-Base interactions energy: -1040.141 where: short stacking energy: -535.001 Base-Backbone interact. energy: -0.026 local terms energy: -679.064896 where: bonds (distance) C4'-P energy: -164.824 bonds (distance) P-C4' energy: -147.915 flat angles C4'-P-C4' energy: -138.013 flat angles P-C4'-P energy: -117.171 tors. eta vs tors. theta energy: -111.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -1580.376541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.376541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.376541 (E_RNA) where: Base-Base interactions energy: -978.049 where: short stacking energy: -433.029 Base-Backbone interact. energy: -2.497 local terms energy: -599.830972 where: bonds (distance) C4'-P energy: -139.364 bonds (distance) P-C4' energy: -160.858 flat angles C4'-P-C4' energy: -135.142 flat angles P-C4'-P energy: -94.250 tors. eta vs tors. theta energy: -70.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -1141.514182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.514182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.514182 (E_RNA) where: Base-Base interactions energy: -653.798 where: short stacking energy: -342.721 Base-Backbone interact. energy: -2.724 local terms energy: -484.992934 where: bonds (distance) C4'-P energy: -121.222 bonds (distance) P-C4' energy: -150.168 flat angles C4'-P-C4' energy: -101.897 flat angles P-C4'-P energy: -87.238 tors. eta vs tors. theta energy: -24.467 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: 5 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -840.975042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.975042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.975042 (E_RNA) where: Base-Base interactions energy: -371.144 where: short stacking energy: -248.310 Base-Backbone interact. energy: 6.022 local terms energy: -475.853658 where: bonds (distance) C4'-P energy: -148.851 bonds (distance) P-C4' energy: -144.715 flat angles C4'-P-C4' energy: -104.343 flat angles P-C4'-P energy: -71.059 tors. eta vs tors. theta energy: -6.885 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: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -2751.710214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.710214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.710214 (E_RNA) where: Base-Base interactions energy: -1833.092 where: short stacking energy: -833.818 Base-Backbone interact. energy: -3.142 local terms energy: -915.476387 where: bonds (distance) C4'-P energy: -184.829 bonds (distance) P-C4' energy: -175.630 flat angles C4'-P-C4' energy: -195.854 flat angles P-C4'-P energy: -121.553 tors. eta vs tors. theta energy: -237.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -2681.299926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.299926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.299926 (E_RNA) where: Base-Base interactions energy: -1801.762 where: short stacking energy: -822.628 Base-Backbone interact. energy: 2.218 local terms energy: -881.756356 where: bonds (distance) C4'-P energy: -163.090 bonds (distance) P-C4' energy: -194.227 flat angles C4'-P-C4' energy: -184.996 flat angles P-C4'-P energy: -122.479 tors. eta vs tors. theta energy: -216.964 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: 8 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -2494.976905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.976905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.976905 (E_RNA) where: Base-Base interactions energy: -1645.185 where: short stacking energy: -744.386 Base-Backbone interact. energy: -4.771 local terms energy: -845.021099 where: bonds (distance) C4'-P energy: -169.491 bonds (distance) P-C4' energy: -180.802 flat angles C4'-P-C4' energy: -177.189 flat angles P-C4'-P energy: -113.923 tors. eta vs tors. theta energy: -203.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -2413.765373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.765373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.765373 (E_RNA) where: Base-Base interactions energy: -1604.483 where: short stacking energy: -735.459 Base-Backbone interact. energy: -2.812 local terms energy: -806.469935 where: bonds (distance) C4'-P energy: -168.201 bonds (distance) P-C4' energy: -150.715 flat angles C4'-P-C4' energy: -177.842 flat angles P-C4'-P energy: -126.091 tors. eta vs tors. theta energy: -183.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -2065.574427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.574427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.574427 (E_RNA) where: Base-Base interactions energy: -1313.930 where: short stacking energy: -612.498 Base-Backbone interact. energy: -2.324 local terms energy: -749.320664 where: bonds (distance) C4'-P energy: -170.783 bonds (distance) P-C4' energy: -174.475 flat angles C4'-P-C4' energy: -168.182 flat angles P-C4'-P energy: -110.729 tors. eta vs tors. theta energy: -125.151 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: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -2043.009886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.009886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.009886 (E_RNA) where: Base-Base interactions energy: -1322.236 where: short stacking energy: -589.509 Base-Backbone interact. energy: 0.868 local terms energy: -721.642434 where: bonds (distance) C4'-P energy: -146.365 bonds (distance) P-C4' energy: -183.974 flat angles C4'-P-C4' energy: -164.934 flat angles P-C4'-P energy: -98.248 tors. eta vs tors. theta energy: -128.121 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: 1 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1685.454911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.454911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.454911 (E_RNA) where: Base-Base interactions energy: -1043.946 where: short stacking energy: -514.974 Base-Backbone interact. energy: -1.487 local terms energy: -640.021332 where: bonds (distance) C4'-P energy: -162.466 bonds (distance) P-C4' energy: -137.266 flat angles C4'-P-C4' energy: -162.262 flat angles P-C4'-P energy: -72.725 tors. eta vs tors. theta energy: -105.302 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: 8, replica: 9 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -1550.292870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.292870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.292870 (E_RNA) where: Base-Base interactions energy: -953.432 where: short stacking energy: -459.900 Base-Backbone interact. energy: 0.752 local terms energy: -597.612644 where: bonds (distance) C4'-P energy: -117.401 bonds (distance) P-C4' energy: -150.925 flat angles C4'-P-C4' energy: -157.820 flat angles P-C4'-P energy: -97.504 tors. eta vs tors. theta energy: -73.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -1235.710468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.710468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.710468 (E_RNA) where: Base-Base interactions energy: -681.598 where: short stacking energy: -348.847 Base-Backbone interact. energy: 2.395 local terms energy: -556.508008 where: bonds (distance) C4'-P energy: -134.216 bonds (distance) P-C4' energy: -157.878 flat angles C4'-P-C4' energy: -138.567 flat angles P-C4'-P energy: -114.610 tors. eta vs tors. theta energy: -11.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -806.507170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.507170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.507170 (E_RNA) where: Base-Base interactions energy: -325.804 where: short stacking energy: -229.071 Base-Backbone interact. energy: 2.556 local terms energy: -483.259386 where: bonds (distance) C4'-P energy: -135.250 bonds (distance) P-C4' energy: -152.320 flat angles C4'-P-C4' energy: -133.445 flat angles P-C4'-P energy: -88.512 tors. eta vs tors. theta energy: 26.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -2775.820424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.820424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.820424 (E_RNA) where: Base-Base interactions energy: -1833.090 where: short stacking energy: -848.992 Base-Backbone interact. energy: -4.082 local terms energy: -938.648385 where: bonds (distance) C4'-P energy: -174.005 bonds (distance) P-C4' energy: -187.817 flat angles C4'-P-C4' energy: -212.917 flat angles P-C4'-P energy: -127.281 tors. eta vs tors. theta energy: -236.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -2682.961665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.961665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.961665 (E_RNA) where: Base-Base interactions energy: -1783.206 where: short stacking energy: -786.766 Base-Backbone interact. energy: -5.000 local terms energy: -894.755352 where: bonds (distance) C4'-P energy: -169.168 bonds (distance) P-C4' energy: -181.341 flat angles C4'-P-C4' energy: -190.378 flat angles P-C4'-P energy: -137.032 tors. eta vs tors. theta energy: -216.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -2476.297760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2476.297760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2476.297760 (E_RNA) where: Base-Base interactions energy: -1662.988 where: short stacking energy: -760.005 Base-Backbone interact. energy: -5.656 local terms energy: -807.653217 where: bonds (distance) C4'-P energy: -151.653 bonds (distance) P-C4' energy: -169.834 flat angles C4'-P-C4' energy: -175.284 flat angles P-C4'-P energy: -112.521 tors. eta vs tors. theta energy: -198.361 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: 7 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -2375.040992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.040992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.040992 (E_RNA) where: Base-Base interactions energy: -1555.013 where: short stacking energy: -729.404 Base-Backbone interact. energy: -3.761 local terms energy: -816.267081 where: bonds (distance) C4'-P energy: -147.796 bonds (distance) P-C4' energy: -165.597 flat angles C4'-P-C4' energy: -194.327 flat angles P-C4'-P energy: -118.679 tors. eta vs tors. theta energy: -189.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -2148.264886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2148.264886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2148.264886 (E_RNA) where: Base-Base interactions energy: -1410.609 where: short stacking energy: -614.247 Base-Backbone interact. energy: -1.383 local terms energy: -736.272674 where: bonds (distance) C4'-P energy: -144.860 bonds (distance) P-C4' energy: -158.786 flat angles C4'-P-C4' energy: -172.440 flat angles P-C4'-P energy: -119.235 tors. eta vs tors. theta energy: -140.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1940.686197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.686197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.686197 (E_RNA) where: Base-Base interactions energy: -1238.462 where: short stacking energy: -579.904 Base-Backbone interact. energy: -4.389 local terms energy: -697.835484 where: bonds (distance) C4'-P energy: -135.982 bonds (distance) P-C4' energy: -179.642 flat angles C4'-P-C4' energy: -166.202 flat angles P-C4'-P energy: -86.334 tors. eta vs tors. theta energy: -129.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1647.188772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.188772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.188772 (E_RNA) where: Base-Base interactions energy: -1037.435 where: short stacking energy: -493.544 Base-Backbone interact. energy: -1.759 local terms energy: -607.994735 where: bonds (distance) C4'-P energy: -172.919 bonds (distance) P-C4' energy: -133.587 flat angles C4'-P-C4' energy: -138.940 flat angles P-C4'-P energy: -74.548 tors. eta vs tors. theta energy: -88.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1555.168612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.168612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.168612 (E_RNA) where: Base-Base interactions energy: -968.681 where: short stacking energy: -466.472 Base-Backbone interact. energy: -1.796 local terms energy: -584.691133 where: bonds (distance) C4'-P energy: -143.442 bonds (distance) P-C4' energy: -138.425 flat angles C4'-P-C4' energy: -120.966 flat angles P-C4'-P energy: -90.774 tors. eta vs tors. theta energy: -91.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -1182.759996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.759996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.759996 (E_RNA) where: Base-Base interactions energy: -649.515 where: short stacking energy: -354.685 Base-Backbone interact. energy: 0.337 local terms energy: -533.581644 where: bonds (distance) C4'-P energy: -139.966 bonds (distance) P-C4' energy: -157.232 flat angles C4'-P-C4' energy: -132.087 flat angles P-C4'-P energy: -86.163 tors. eta vs tors. theta energy: -18.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -790.661665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.661665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.661665 (E_RNA) where: Base-Base interactions energy: -341.000 where: short stacking energy: -240.679 Base-Backbone interact. energy: 4.177 local terms energy: -453.838077 where: bonds (distance) C4'-P energy: -134.127 bonds (distance) P-C4' energy: -147.790 flat angles C4'-P-C4' energy: -137.319 flat angles P-C4'-P energy: -53.201 tors. eta vs tors. theta energy: 18.598 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: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -2814.992177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.992177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.992177 (E_RNA) where: Base-Base interactions energy: -1894.650 where: short stacking energy: -842.627 Base-Backbone interact. energy: -6.396 local terms energy: -913.946631 where: bonds (distance) C4'-P energy: -184.143 bonds (distance) P-C4' energy: -185.093 flat angles C4'-P-C4' energy: -194.408 flat angles P-C4'-P energy: -122.749 tors. eta vs tors. theta energy: -227.553 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: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -2696.636433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.636433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.636433 (E_RNA) where: Base-Base interactions energy: -1789.931 where: short stacking energy: -806.314 Base-Backbone interact. energy: -1.510 local terms energy: -905.195386 where: bonds (distance) C4'-P energy: -173.015 bonds (distance) P-C4' energy: -174.225 flat angles C4'-P-C4' energy: -202.445 flat angles P-C4'-P energy: -130.528 tors. eta vs tors. theta energy: -224.982 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: 3, replica: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -2534.866321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.866321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.866321 (E_RNA) where: Base-Base interactions energy: -1657.333 where: short stacking energy: -754.706 Base-Backbone interact. energy: 1.059 local terms energy: -878.592562 where: bonds (distance) C4'-P energy: -178.087 bonds (distance) P-C4' energy: -180.987 flat angles C4'-P-C4' energy: -198.319 flat angles P-C4'-P energy: -112.847 tors. eta vs tors. theta energy: -208.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -2393.786785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.786785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.786785 (E_RNA) where: Base-Base interactions energy: -1564.418 where: short stacking energy: -747.021 Base-Backbone interact. energy: -2.311 local terms energy: -827.058422 where: bonds (distance) C4'-P energy: -163.296 bonds (distance) P-C4' energy: -165.093 flat angles C4'-P-C4' energy: -182.406 flat angles P-C4'-P energy: -123.483 tors. eta vs tors. theta energy: -192.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -2150.111697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2150.111697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2150.111697 (E_RNA) where: Base-Base interactions energy: -1395.429 where: short stacking energy: -635.751 Base-Backbone interact. energy: 6.820 local terms energy: -761.503204 where: bonds (distance) C4'-P energy: -155.740 bonds (distance) P-C4' energy: -175.815 flat angles C4'-P-C4' energy: -164.189 flat angles P-C4'-P energy: -112.872 tors. eta vs tors. theta energy: -152.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1914.589799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.589799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.589799 (E_RNA) where: Base-Base interactions energy: -1210.325 where: short stacking energy: -599.801 Base-Backbone interact. energy: -4.106 local terms energy: -700.158910 where: bonds (distance) C4'-P energy: -158.750 bonds (distance) P-C4' energy: -155.778 flat angles C4'-P-C4' energy: -156.242 flat angles P-C4'-P energy: -103.848 tors. eta vs tors. theta energy: -125.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1729.186616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.186616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.186616 (E_RNA) where: Base-Base interactions energy: -1042.102 where: short stacking energy: -510.916 Base-Backbone interact. energy: -3.987 local terms energy: -683.098294 where: bonds (distance) C4'-P energy: -157.911 bonds (distance) P-C4' energy: -155.559 flat angles C4'-P-C4' energy: -168.232 flat angles P-C4'-P energy: -90.005 tors. eta vs tors. theta energy: -111.391 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: 1 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1510.256470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.256470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.256470 (E_RNA) where: Base-Base interactions energy: -896.504 where: short stacking energy: -444.962 Base-Backbone interact. energy: -3.590 local terms energy: -610.162709 where: bonds (distance) C4'-P energy: -143.237 bonds (distance) P-C4' energy: -158.662 flat angles C4'-P-C4' energy: -157.631 flat angles P-C4'-P energy: -75.151 tors. eta vs tors. theta energy: -75.481 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: 3 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -1119.870499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.870499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.870499 (E_RNA) where: Base-Base interactions energy: -603.266 where: short stacking energy: -305.489 Base-Backbone interact. energy: 4.857 local terms energy: -521.461342 where: bonds (distance) C4'-P energy: -141.770 bonds (distance) P-C4' energy: -153.530 flat angles C4'-P-C4' energy: -118.879 flat angles P-C4'-P energy: -80.026 tors. eta vs tors. theta energy: -27.256 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: 5 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -781.471277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.471277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.471277 (E_RNA) where: Base-Base interactions energy: -304.508 where: short stacking energy: -207.566 Base-Backbone interact. energy: -2.738 local terms energy: -474.224627 where: bonds (distance) C4'-P energy: -145.487 bonds (distance) P-C4' energy: -150.549 flat angles C4'-P-C4' energy: -143.831 flat angles P-C4'-P energy: -56.682 tors. eta vs tors. theta energy: 22.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -2832.807300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.807300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.807300 (E_RNA) where: Base-Base interactions energy: -1906.753 where: short stacking energy: -828.638 Base-Backbone interact. energy: -0.701 local terms energy: -925.353629 where: bonds (distance) C4'-P energy: -174.610 bonds (distance) P-C4' energy: -188.072 flat angles C4'-P-C4' energy: -196.731 flat angles P-C4'-P energy: -138.030 tors. eta vs tors. theta energy: -227.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -2732.642686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.642686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.642686 (E_RNA) where: Base-Base interactions energy: -1840.718 where: short stacking energy: -860.510 Base-Backbone interact. energy: -5.522 local terms energy: -886.401870 where: bonds (distance) C4'-P energy: -175.494 bonds (distance) P-C4' energy: -172.170 flat angles C4'-P-C4' energy: -198.501 flat angles P-C4'-P energy: -121.877 tors. eta vs tors. theta energy: -218.360 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: 3, replica: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -2595.990414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.990414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.990414 (E_RNA) where: Base-Base interactions energy: -1725.105 where: short stacking energy: -783.475 Base-Backbone interact. energy: -0.232 local terms energy: -870.652553 where: bonds (distance) C4'-P energy: -164.833 bonds (distance) P-C4' energy: -188.014 flat angles C4'-P-C4' energy: -194.142 flat angles P-C4'-P energy: -118.273 tors. eta vs tors. theta energy: -205.390 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: 7 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -2387.925323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.925323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.925323 (E_RNA) where: Base-Base interactions energy: -1595.693 where: short stacking energy: -721.913 Base-Backbone interact. energy: -2.517 local terms energy: -789.715131 where: bonds (distance) C4'-P energy: -153.584 bonds (distance) P-C4' energy: -165.339 flat angles C4'-P-C4' energy: -175.652 flat angles P-C4'-P energy: -115.302 tors. eta vs tors. theta energy: -179.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -2247.133814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.133814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.133814 (E_RNA) where: Base-Base interactions energy: -1462.053 where: short stacking energy: -670.407 Base-Backbone interact. energy: -3.414 local terms energy: -781.666127 where: bonds (distance) C4'-P energy: -160.941 bonds (distance) P-C4' energy: -162.458 flat angles C4'-P-C4' energy: -179.502 flat angles P-C4'-P energy: -122.176 tors. eta vs tors. theta energy: -156.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1959.937588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.937588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.937588 (E_RNA) where: Base-Base interactions energy: -1217.703 where: short stacking energy: -569.585 Base-Backbone interact. energy: 0.986 local terms energy: -743.220263 where: bonds (distance) C4'-P energy: -169.783 bonds (distance) P-C4' energy: -147.616 flat angles C4'-P-C4' energy: -161.449 flat angles P-C4'-P energy: -129.246 tors. eta vs tors. theta energy: -135.127 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: 9 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1725.880626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.880626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.880626 (E_RNA) where: Base-Base interactions energy: -1059.425 where: short stacking energy: -503.094 Base-Backbone interact. energy: -1.422 local terms energy: -665.033117 where: bonds (distance) C4'-P energy: -152.931 bonds (distance) P-C4' energy: -161.037 flat angles C4'-P-C4' energy: -162.870 flat angles P-C4'-P energy: -91.354 tors. eta vs tors. theta energy: -96.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1547.505382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.505382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.505382 (E_RNA) where: Base-Base interactions energy: -949.738 where: short stacking energy: -464.898 Base-Backbone interact. energy: 3.832 local terms energy: -601.599985 where: bonds (distance) C4'-P energy: -135.331 bonds (distance) P-C4' energy: -142.224 flat angles C4'-P-C4' energy: -165.467 flat angles P-C4'-P energy: -76.500 tors. eta vs tors. theta energy: -82.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -1155.158472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.158472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.158472 (E_RNA) where: Base-Base interactions energy: -611.992 where: short stacking energy: -385.469 Base-Backbone interact. energy: -1.372 local terms energy: -541.793683 where: bonds (distance) C4'-P energy: -132.466 bonds (distance) P-C4' energy: -175.329 flat angles C4'-P-C4' energy: -123.966 flat angles P-C4'-P energy: -67.030 tors. eta vs tors. theta energy: -43.003 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: 5 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -925.053113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.053113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.053113 (E_RNA) where: Base-Base interactions energy: -425.330 where: short stacking energy: -255.445 Base-Backbone interact. energy: 1.653 local terms energy: -501.376238 where: bonds (distance) C4'-P energy: -135.381 bonds (distance) P-C4' energy: -138.254 flat angles C4'-P-C4' energy: -132.749 flat angles P-C4'-P energy: -97.660 tors. eta vs tors. theta energy: 2.669 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: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -2852.153000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.153000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.153000 (E_RNA) where: Base-Base interactions energy: -1962.985 where: short stacking energy: -869.654 Base-Backbone interact. energy: -3.610 local terms energy: -885.558068 where: bonds (distance) C4'-P energy: -162.009 bonds (distance) P-C4' energy: -173.670 flat angles C4'-P-C4' energy: -186.270 flat angles P-C4'-P energy: -135.024 tors. eta vs tors. theta energy: -228.585 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: 51 Temperature: 0.950000 Total energy: -2743.547889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.547889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.547889 (E_RNA) where: Base-Base interactions energy: -1861.177 where: short stacking energy: -885.681 Base-Backbone interact. energy: -1.125 local terms energy: -881.246065 where: bonds (distance) C4'-P energy: -170.193 bonds (distance) P-C4' energy: -178.041 flat angles C4'-P-C4' energy: -192.291 flat angles P-C4'-P energy: -126.606 tors. eta vs tors. theta energy: -214.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -2597.456548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.456548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.456548 (E_RNA) where: Base-Base interactions energy: -1729.468 where: short stacking energy: -794.132 Base-Backbone interact. energy: -3.554 local terms energy: -864.434074 where: bonds (distance) C4'-P energy: -166.878 bonds (distance) P-C4' energy: -174.017 flat angles C4'-P-C4' energy: -183.167 flat angles P-C4'-P energy: -118.896 tors. eta vs tors. theta energy: -221.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -2503.824530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.824530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.824530 (E_RNA) where: Base-Base interactions energy: -1686.633 where: short stacking energy: -751.524 Base-Backbone interact. energy: -2.154 local terms energy: -815.037169 where: bonds (distance) C4'-P energy: -145.631 bonds (distance) P-C4' energy: -146.686 flat angles C4'-P-C4' energy: -198.003 flat angles P-C4'-P energy: -123.429 tors. eta vs tors. theta energy: -201.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -2247.545286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.545286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.545286 (E_RNA) where: Base-Base interactions energy: -1508.773 where: short stacking energy: -677.440 Base-Backbone interact. energy: 3.615 local terms energy: -742.387803 where: bonds (distance) C4'-P energy: -162.238 bonds (distance) P-C4' energy: -167.194 flat angles C4'-P-C4' energy: -174.692 flat angles P-C4'-P energy: -81.506 tors. eta vs tors. theta energy: -156.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1963.414781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.414781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.414781 (E_RNA) where: Base-Base interactions energy: -1236.236 where: short stacking energy: -597.008 Base-Backbone interact. energy: -0.750 local terms energy: -726.428699 where: bonds (distance) C4'-P energy: -149.745 bonds (distance) P-C4' energy: -165.629 flat angles C4'-P-C4' energy: -171.563 flat angles P-C4'-P energy: -82.456 tors. eta vs tors. theta energy: -157.036 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: 9 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1643.465803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.465803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.465803 (E_RNA) where: Base-Base interactions energy: -1015.007 where: short stacking energy: -482.975 Base-Backbone interact. energy: 2.504 local terms energy: -630.962579 where: bonds (distance) C4'-P energy: -136.727 bonds (distance) P-C4' energy: -157.597 flat angles C4'-P-C4' energy: -166.420 flat angles P-C4'-P energy: -95.839 tors. eta vs tors. theta energy: -74.379 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: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1619.790227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.790227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.790227 (E_RNA) where: Base-Base interactions energy: -994.908 where: short stacking energy: -444.291 Base-Backbone interact. energy: -0.469 local terms energy: -624.412685 where: bonds (distance) C4'-P energy: -156.708 bonds (distance) P-C4' energy: -161.597 flat angles C4'-P-C4' energy: -153.835 flat angles P-C4'-P energy: -78.624 tors. eta vs tors. theta energy: -73.649 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: 3 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -1134.122190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.122190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.122190 (E_RNA) where: Base-Base interactions energy: -622.291 where: short stacking energy: -335.746 Base-Backbone interact. energy: 7.507 local terms energy: -519.338110 where: bonds (distance) C4'-P energy: -130.932 bonds (distance) P-C4' energy: -142.435 flat angles C4'-P-C4' energy: -144.770 flat angles P-C4'-P energy: -79.556 tors. eta vs tors. theta energy: -21.645 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: 10, replica: 5 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -869.116830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.116830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.116830 (E_RNA) where: Base-Base interactions energy: -379.736 where: short stacking energy: -206.123 Base-Backbone interact. energy: -1.585 local terms energy: -487.795178 where: bonds (distance) C4'-P energy: -125.489 bonds (distance) P-C4' energy: -151.415 flat angles C4'-P-C4' energy: -149.386 flat angles P-C4'-P energy: -71.668 tors. eta vs tors. theta energy: 10.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -2837.275993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.275993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.275993 (E_RNA) where: Base-Base interactions energy: -1924.271 where: short stacking energy: -872.870 Base-Backbone interact. energy: -2.717 local terms energy: -910.287816 where: bonds (distance) C4'-P energy: -174.141 bonds (distance) P-C4' energy: -183.472 flat angles C4'-P-C4' energy: -194.075 flat angles P-C4'-P energy: -128.676 tors. eta vs tors. theta energy: -229.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -2753.620948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.620948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.620948 (E_RNA) where: Base-Base interactions energy: -1848.083 where: short stacking energy: -870.813 Base-Backbone interact. energy: -3.708 local terms energy: -901.829825 where: bonds (distance) C4'-P energy: -179.173 bonds (distance) P-C4' energy: -179.906 flat angles C4'-P-C4' energy: -186.543 flat angles P-C4'-P energy: -128.777 tors. eta vs tors. theta energy: -227.431 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: 8 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -2520.758661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.758661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.758661 (E_RNA) where: Base-Base interactions energy: -1678.724 where: short stacking energy: -773.819 Base-Backbone interact. energy: -3.459 local terms energy: -838.575820 where: bonds (distance) C4'-P energy: -175.617 bonds (distance) P-C4' energy: -174.719 flat angles C4'-P-C4' energy: -193.722 flat angles P-C4'-P energy: -98.453 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: 4, replica: 7 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -2451.002119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.002119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.002119 (E_RNA) where: Base-Base interactions energy: -1626.758 where: short stacking energy: -732.412 Base-Backbone interact. energy: 2.219 local terms energy: -826.463010 where: bonds (distance) C4'-P energy: -157.264 bonds (distance) P-C4' energy: -157.853 flat angles C4'-P-C4' energy: -199.761 flat angles P-C4'-P energy: -113.898 tors. eta vs tors. theta energy: -197.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -2303.096136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2303.096136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2303.096136 (E_RNA) where: Base-Base interactions energy: -1519.788 where: short stacking energy: -660.576 Base-Backbone interact. energy: -0.139 local terms energy: -783.168738 where: bonds (distance) C4'-P energy: -153.953 bonds (distance) P-C4' energy: -173.100 flat angles C4'-P-C4' energy: -174.484 flat angles P-C4'-P energy: -120.419 tors. eta vs tors. theta energy: -161.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1957.600022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.600022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.600022 (E_RNA) where: Base-Base interactions energy: -1240.995 where: short stacking energy: -584.444 Base-Backbone interact. energy: -4.869 local terms energy: -711.735540 where: bonds (distance) C4'-P energy: -149.865 bonds (distance) P-C4' energy: -157.019 flat angles C4'-P-C4' energy: -162.762 flat angles P-C4'-P energy: -120.065 tors. eta vs tors. theta energy: -122.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1604.454008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.454008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.454008 (E_RNA) where: Base-Base interactions energy: -958.225 where: short stacking energy: -456.537 Base-Backbone interact. energy: -0.978 local terms energy: -645.250756 where: bonds (distance) C4'-P energy: -156.663 bonds (distance) P-C4' energy: -136.111 flat angles C4'-P-C4' energy: -159.654 flat angles P-C4'-P energy: -106.537 tors. eta vs tors. theta energy: -86.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -1654.740661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.740661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.740661 (E_RNA) where: Base-Base interactions energy: -1041.745 where: short stacking energy: -480.512 Base-Backbone interact. energy: 2.372 local terms energy: -615.367854 where: bonds (distance) C4'-P energy: -144.424 bonds (distance) P-C4' energy: -158.827 flat angles C4'-P-C4' energy: -131.768 flat angles P-C4'-P energy: -94.301 tors. eta vs tors. theta energy: -86.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -1118.466498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.466498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.466498 (E_RNA) where: Base-Base interactions energy: -610.432 where: short stacking energy: -331.338 Base-Backbone interact. energy: -1.932 local terms energy: -506.102388 where: bonds (distance) C4'-P energy: -128.059 bonds (distance) P-C4' energy: -138.503 flat angles C4'-P-C4' energy: -135.419 flat angles P-C4'-P energy: -80.614 tors. eta vs tors. theta energy: -23.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -851.099338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.099338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.099338 (E_RNA) where: Base-Base interactions energy: -400.988 where: short stacking energy: -230.915 Base-Backbone interact. energy: 15.939 local terms energy: -466.049787 where: bonds (distance) C4'-P energy: -137.347 bonds (distance) P-C4' energy: -167.133 flat angles C4'-P-C4' energy: -123.906 flat angles P-C4'-P energy: -68.555 tors. eta vs tors. theta energy: 30.892 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: 4 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -2824.994436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.994436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.994436 (E_RNA) where: Base-Base interactions energy: -1918.833 where: short stacking energy: -828.473 Base-Backbone interact. energy: -4.716 local terms energy: -901.445707 where: bonds (distance) C4'-P energy: -173.737 bonds (distance) P-C4' energy: -175.825 flat angles C4'-P-C4' energy: -201.745 flat angles P-C4'-P energy: -132.615 tors. eta vs tors. theta energy: -217.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -2720.757647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.757647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.757647 (E_RNA) where: Base-Base interactions energy: -1836.400 where: short stacking energy: -838.412 Base-Backbone interact. energy: -1.284 local terms energy: -883.073231 where: bonds (distance) C4'-P energy: -174.341 bonds (distance) P-C4' energy: -176.024 flat angles C4'-P-C4' energy: -193.319 flat angles P-C4'-P energy: -129.896 tors. eta vs tors. theta energy: -209.492 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: 3, replica: 8 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -2536.664934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.664934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.664934 (E_RNA) where: Base-Base interactions energy: -1674.438 where: short stacking energy: -770.395 Base-Backbone interact. energy: -8.116 local terms energy: -854.111387 where: bonds (distance) C4'-P energy: -185.658 bonds (distance) P-C4' energy: -179.164 flat angles C4'-P-C4' energy: -184.167 flat angles P-C4'-P energy: -99.888 tors. eta vs tors. theta energy: -205.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -2451.400417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.400417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.400417 (E_RNA) where: Base-Base interactions energy: -1599.296 where: short stacking energy: -738.236 Base-Backbone interact. energy: -3.348 local terms energy: -848.756885 where: bonds (distance) C4'-P energy: -168.703 bonds (distance) P-C4' energy: -166.387 flat angles C4'-P-C4' energy: -181.010 flat angles P-C4'-P energy: -122.960 tors. eta vs tors. theta energy: -209.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -2313.173084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.173084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.173084 (E_RNA) where: Base-Base interactions energy: -1549.092 where: short stacking energy: -692.899 Base-Backbone interact. energy: -3.419 local terms energy: -760.662766 where: bonds (distance) C4'-P energy: -158.993 bonds (distance) P-C4' energy: -171.240 flat angles C4'-P-C4' energy: -162.332 flat angles P-C4'-P energy: -102.360 tors. eta vs tors. theta energy: -165.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1908.285066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.285066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.285066 (E_RNA) where: Base-Base interactions energy: -1216.955 where: short stacking energy: -602.062 Base-Backbone interact. energy: -0.721 local terms energy: -690.609346 where: bonds (distance) C4'-P energy: -153.052 bonds (distance) P-C4' energy: -145.279 flat angles C4'-P-C4' energy: -165.365 flat angles P-C4'-P energy: -102.218 tors. eta vs tors. theta energy: -124.695 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: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1652.704607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.704607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.704607 (E_RNA) where: Base-Base interactions energy: -999.006 where: short stacking energy: -493.616 Base-Backbone interact. energy: -0.485 local terms energy: -653.213755 where: bonds (distance) C4'-P energy: -143.711 bonds (distance) P-C4' energy: -153.674 flat angles C4'-P-C4' energy: -156.984 flat angles P-C4'-P energy: -98.308 tors. eta vs tors. theta energy: -100.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -1633.045998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.045998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.045998 (E_RNA) where: Base-Base interactions energy: -1005.420 where: short stacking energy: -474.114 Base-Backbone interact. energy: 1.790 local terms energy: -629.415770 where: bonds (distance) C4'-P energy: -154.842 bonds (distance) P-C4' energy: -147.984 flat angles C4'-P-C4' energy: -140.697 flat angles P-C4'-P energy: -104.326 tors. eta vs tors. theta energy: -81.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -1133.647069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.647069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.647069 (E_RNA) where: Base-Base interactions energy: -610.880 where: short stacking energy: -335.081 Base-Backbone interact. energy: -0.793 local terms energy: -521.974093 where: bonds (distance) C4'-P energy: -128.050 bonds (distance) P-C4' energy: -154.313 flat angles C4'-P-C4' energy: -150.837 flat angles P-C4'-P energy: -87.008 tors. eta vs tors. theta energy: -1.767 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: 5 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -892.206143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.206143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.206143 (E_RNA) where: Base-Base interactions energy: -417.779 where: short stacking energy: -252.140 Base-Backbone interact. energy: -4.400 local terms energy: -470.026620 where: bonds (distance) C4'-P energy: -123.125 bonds (distance) P-C4' energy: -153.697 flat angles C4'-P-C4' energy: -129.485 flat angles P-C4'-P energy: -79.872 tors. eta vs tors. theta energy: 16.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -2827.816717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.816717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.816717 (E_RNA) where: Base-Base interactions energy: -1894.288 where: short stacking energy: -841.209 Base-Backbone interact. energy: -4.354 local terms energy: -929.174965 where: bonds (distance) C4'-P energy: -183.315 bonds (distance) P-C4' energy: -187.454 flat angles C4'-P-C4' energy: -203.881 flat angles P-C4'-P energy: -123.965 tors. eta vs tors. theta energy: -230.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -2739.542493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.542493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.542493 (E_RNA) where: Base-Base interactions energy: -1835.927 where: short stacking energy: -854.802 Base-Backbone interact. energy: -2.891 local terms energy: -900.724398 where: bonds (distance) C4'-P energy: -157.407 bonds (distance) P-C4' energy: -172.212 flat angles C4'-P-C4' energy: -191.852 flat angles P-C4'-P energy: -148.013 tors. eta vs tors. theta energy: -231.241 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: 3, replica: 8 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -2563.079511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.079511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.079511 (E_RNA) where: Base-Base interactions energy: -1735.399 where: short stacking energy: -781.718 Base-Backbone interact. energy: -4.047 local terms energy: -823.633512 where: bonds (distance) C4'-P energy: -165.554 bonds (distance) P-C4' energy: -166.974 flat angles C4'-P-C4' energy: -178.310 flat angles P-C4'-P energy: -119.622 tors. eta vs tors. theta energy: -193.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -2470.493621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.493621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.493621 (E_RNA) where: Base-Base interactions energy: -1653.888 where: short stacking energy: -767.791 Base-Backbone interact. energy: 0.798 local terms energy: -817.403903 where: bonds (distance) C4'-P energy: -146.342 bonds (distance) P-C4' energy: -157.174 flat angles C4'-P-C4' energy: -174.256 flat angles P-C4'-P energy: -127.557 tors. eta vs tors. theta energy: -212.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -2284.247847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.247847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.247847 (E_RNA) where: Base-Base interactions energy: -1524.262 where: short stacking energy: -679.648 Base-Backbone interact. energy: -2.382 local terms energy: -757.604084 where: bonds (distance) C4'-P energy: -155.319 bonds (distance) P-C4' energy: -177.601 flat angles C4'-P-C4' energy: -153.299 flat angles P-C4'-P energy: -107.153 tors. eta vs tors. theta energy: -164.232 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: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1913.978537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.978537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.978537 (E_RNA) where: Base-Base interactions energy: -1209.164 where: short stacking energy: -588.777 Base-Backbone interact. energy: -2.391 local terms energy: -702.423620 where: bonds (distance) C4'-P energy: -146.728 bonds (distance) P-C4' energy: -178.851 flat angles C4'-P-C4' energy: -154.027 flat angles P-C4'-P energy: -102.709 tors. eta vs tors. theta energy: -120.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1642.464163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.464163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.464163 (E_RNA) where: Base-Base interactions energy: -989.618 where: short stacking energy: -514.045 Base-Backbone interact. energy: -2.080 local terms energy: -650.766231 where: bonds (distance) C4'-P energy: -145.247 bonds (distance) P-C4' energy: -149.286 flat angles C4'-P-C4' energy: -168.282 flat angles P-C4'-P energy: -85.522 tors. eta vs tors. theta energy: -102.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -1661.227109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.227109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.227109 (E_RNA) where: Base-Base interactions energy: -1022.616 where: short stacking energy: -494.730 Base-Backbone interact. energy: -2.441 local terms energy: -636.170305 where: bonds (distance) C4'-P energy: -164.180 bonds (distance) P-C4' energy: -136.299 flat angles C4'-P-C4' energy: -152.052 flat angles P-C4'-P energy: -74.153 tors. eta vs tors. theta energy: -109.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -1120.027629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.027629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.027629 (E_RNA) where: Base-Base interactions energy: -594.613 where: short stacking energy: -320.639 Base-Backbone interact. energy: 1.572 local terms energy: -526.986621 where: bonds (distance) C4'-P energy: -132.309 bonds (distance) P-C4' energy: -159.162 flat angles C4'-P-C4' energy: -119.738 flat angles P-C4'-P energy: -92.550 tors. eta vs tors. theta energy: -23.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -919.793541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.793541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.793541 (E_RNA) where: Base-Base interactions energy: -481.077 where: short stacking energy: -278.230 Base-Backbone interact. energy: -0.249 local terms energy: -438.467872 where: bonds (distance) C4'-P energy: -123.600 bonds (distance) P-C4' energy: -150.816 flat angles C4'-P-C4' energy: -109.806 flat angles P-C4'-P energy: -59.361 tors. eta vs tors. theta energy: 5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -2844.929704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.929704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.929704 (E_RNA) where: Base-Base interactions energy: -1944.651 where: short stacking energy: -833.358 Base-Backbone interact. energy: -1.921 local terms energy: -898.357408 where: bonds (distance) C4'-P energy: -198.112 bonds (distance) P-C4' energy: -174.664 flat angles C4'-P-C4' energy: -195.185 flat angles P-C4'-P energy: -113.320 tors. eta vs tors. theta energy: -217.077 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: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -2714.943862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.943862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.943862 (E_RNA) where: Base-Base interactions energy: -1812.117 where: short stacking energy: -815.389 Base-Backbone interact. energy: -1.793 local terms energy: -901.034204 where: bonds (distance) C4'-P energy: -167.083 bonds (distance) P-C4' energy: -188.911 flat angles C4'-P-C4' energy: -191.163 flat angles P-C4'-P energy: -133.111 tors. eta vs tors. theta energy: -220.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -2563.481815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.481815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.481815 (E_RNA) where: Base-Base interactions energy: -1733.524 where: short stacking energy: -776.000 Base-Backbone interact. energy: 0.090 local terms energy: -830.047660 where: bonds (distance) C4'-P energy: -163.813 bonds (distance) P-C4' energy: -164.557 flat angles C4'-P-C4' energy: -179.808 flat angles P-C4'-P energy: -117.073 tors. eta vs tors. theta energy: -204.796 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: 7 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -2523.861977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.861977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.861977 (E_RNA) where: Base-Base interactions energy: -1690.297 where: short stacking energy: -788.881 Base-Backbone interact. energy: 1.354 local terms energy: -834.919406 where: bonds (distance) C4'-P energy: -159.445 bonds (distance) P-C4' energy: -141.571 flat angles C4'-P-C4' energy: -195.463 flat angles P-C4'-P energy: -134.760 tors. eta vs tors. theta energy: -203.681 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: 10 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -2340.023350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.023350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.023350 (E_RNA) where: Base-Base interactions energy: -1586.135 where: short stacking energy: -680.683 Base-Backbone interact. energy: -4.071 local terms energy: -749.817281 where: bonds (distance) C4'-P energy: -142.369 bonds (distance) P-C4' energy: -166.514 flat angles C4'-P-C4' energy: -180.390 flat angles P-C4'-P energy: -104.955 tors. eta vs tors. theta energy: -155.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1981.808756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.808756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.808756 (E_RNA) where: Base-Base interactions energy: -1249.410 where: short stacking energy: -599.281 Base-Backbone interact. energy: -2.342 local terms energy: -730.056463 where: bonds (distance) C4'-P energy: -157.914 bonds (distance) P-C4' energy: -159.742 flat angles C4'-P-C4' energy: -167.043 flat angles P-C4'-P energy: -102.966 tors. eta vs tors. theta energy: -142.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1586.268710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.268710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.268710 (E_RNA) where: Base-Base interactions energy: -966.614 where: short stacking energy: -479.479 Base-Backbone interact. energy: -1.432 local terms energy: -618.221822 where: bonds (distance) C4'-P energy: -147.189 bonds (distance) P-C4' energy: -164.183 flat angles C4'-P-C4' energy: -130.413 flat angles P-C4'-P energy: -89.883 tors. eta vs tors. theta energy: -86.555 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: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -1593.573243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.573243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.573243 (E_RNA) where: Base-Base interactions energy: -991.849 where: short stacking energy: -461.591 Base-Backbone interact. energy: -2.793 local terms energy: -598.931979 where: bonds (distance) C4'-P energy: -140.360 bonds (distance) P-C4' energy: -145.608 flat angles C4'-P-C4' energy: -158.258 flat angles P-C4'-P energy: -92.279 tors. eta vs tors. theta energy: -62.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -1129.601179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.601179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.601179 (E_RNA) where: Base-Base interactions energy: -597.785 where: short stacking energy: -336.805 Base-Backbone interact. energy: 6.508 local terms energy: -538.324077 where: bonds (distance) C4'-P energy: -153.357 bonds (distance) P-C4' energy: -148.997 flat angles C4'-P-C4' energy: -125.204 flat angles P-C4'-P energy: -72.565 tors. eta vs tors. theta energy: -38.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -904.976246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.976246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.976246 (E_RNA) where: Base-Base interactions energy: -431.488 where: short stacking energy: -289.548 Base-Backbone interact. energy: -3.829 local terms energy: -469.658798 where: bonds (distance) C4'-P energy: -133.280 bonds (distance) P-C4' energy: -135.667 flat angles C4'-P-C4' energy: -123.054 flat angles P-C4'-P energy: -72.406 tors. eta vs tors. theta energy: -5.252 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: 4 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -2824.185339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.185339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.185339 (E_RNA) where: Base-Base interactions energy: -1915.519 where: short stacking energy: -835.439 Base-Backbone interact. energy: -6.067 local terms energy: -902.599657 where: bonds (distance) C4'-P energy: -169.121 bonds (distance) P-C4' energy: -203.142 flat angles C4'-P-C4' energy: -195.205 flat angles P-C4'-P energy: -119.666 tors. eta vs tors. theta energy: -215.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -2745.171814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.171814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.171814 (E_RNA) where: Base-Base interactions energy: -1852.743 where: short stacking energy: -848.707 Base-Backbone interact. energy: -2.310 local terms energy: -890.118906 where: bonds (distance) C4'-P energy: -160.313 bonds (distance) P-C4' energy: -173.834 flat angles C4'-P-C4' energy: -190.797 flat angles P-C4'-P energy: -132.402 tors. eta vs tors. theta energy: -232.774 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: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -2557.209620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.209620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.209620 (E_RNA) where: Base-Base interactions energy: -1708.376 where: short stacking energy: -777.053 Base-Backbone interact. energy: -5.829 local terms energy: -843.005151 where: bonds (distance) C4'-P energy: -186.984 bonds (distance) P-C4' energy: -163.698 flat angles C4'-P-C4' energy: -188.327 flat angles P-C4'-P energy: -113.053 tors. eta vs tors. theta energy: -190.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -2508.637775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.637775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.637775 (E_RNA) where: Base-Base interactions energy: -1654.619 where: short stacking energy: -748.145 Base-Backbone interact. energy: 4.179 local terms energy: -858.197981 where: bonds (distance) C4'-P energy: -148.947 bonds (distance) P-C4' energy: -173.957 flat angles C4'-P-C4' energy: -198.520 flat angles P-C4'-P energy: -124.368 tors. eta vs tors. theta energy: -212.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -2340.643895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.643895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.643895 (E_RNA) where: Base-Base interactions energy: -1569.685 where: short stacking energy: -702.189 Base-Backbone interact. energy: -0.878 local terms energy: -770.081093 where: bonds (distance) C4'-P energy: -140.472 bonds (distance) P-C4' energy: -167.776 flat angles C4'-P-C4' energy: -170.195 flat angles P-C4'-P energy: -123.512 tors. eta vs tors. theta energy: -168.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -2014.173236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.173236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.173236 (E_RNA) where: Base-Base interactions energy: -1309.428 where: short stacking energy: -614.488 Base-Backbone interact. energy: 0.079 local terms energy: -704.824153 where: bonds (distance) C4'-P energy: -144.590 bonds (distance) P-C4' energy: -151.580 flat angles C4'-P-C4' energy: -159.030 flat angles P-C4'-P energy: -98.888 tors. eta vs tors. theta energy: -150.735 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: 9 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1683.205448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.205448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.205448 (E_RNA) where: Base-Base interactions energy: -1048.958 where: short stacking energy: -503.319 Base-Backbone interact. energy: -2.317 local terms energy: -631.929672 where: bonds (distance) C4'-P energy: -133.781 bonds (distance) P-C4' energy: -166.510 flat angles C4'-P-C4' energy: -149.413 flat angles P-C4'-P energy: -94.339 tors. eta vs tors. theta energy: -87.885 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: 1 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -1589.974250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.974250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.974250 (E_RNA) where: Base-Base interactions energy: -965.208 where: short stacking energy: -453.593 Base-Backbone interact. energy: -0.885 local terms energy: -623.881543 where: bonds (distance) C4'-P energy: -150.385 bonds (distance) P-C4' energy: -157.745 flat angles C4'-P-C4' energy: -136.174 flat angles P-C4'-P energy: -92.897 tors. eta vs tors. theta energy: -86.681 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: 9, replica: 3 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -1155.635881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.635881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.635881 (E_RNA) where: Base-Base interactions energy: -611.193 where: short stacking energy: -334.283 Base-Backbone interact. energy: -2.748 local terms energy: -541.695545 where: bonds (distance) C4'-P energy: -146.167 bonds (distance) P-C4' energy: -164.757 flat angles C4'-P-C4' energy: -130.738 flat angles P-C4'-P energy: -76.829 tors. eta vs tors. theta energy: -23.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -836.992380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.992380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.992380 (E_RNA) where: Base-Base interactions energy: -396.831 where: short stacking energy: -268.591 Base-Backbone interact. energy: 4.144 local terms energy: -444.305050 where: bonds (distance) C4'-P energy: -132.402 bonds (distance) P-C4' energy: -129.496 flat angles C4'-P-C4' energy: -135.596 flat angles P-C4'-P energy: -51.643 tors. eta vs tors. theta energy: 4.832 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: 4 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -2882.956274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.956274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.956274 (E_RNA) where: Base-Base interactions energy: -1970.659 where: short stacking energy: -869.309 Base-Backbone interact. energy: -1.632 local terms energy: -910.665887 where: bonds (distance) C4'-P energy: -185.971 bonds (distance) P-C4' energy: -170.663 flat angles C4'-P-C4' energy: -191.080 flat angles P-C4'-P energy: -132.033 tors. eta vs tors. theta energy: -230.919 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: 2 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -2749.307086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.307086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.307086 (E_RNA) where: Base-Base interactions energy: -1863.642 where: short stacking energy: -851.530 Base-Backbone interact. energy: -1.162 local terms energy: -884.503201 where: bonds (distance) C4'-P energy: -170.907 bonds (distance) P-C4' energy: -166.107 flat angles C4'-P-C4' energy: -192.011 flat angles P-C4'-P energy: -119.450 tors. eta vs tors. theta energy: -236.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -2578.133649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.133649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.133649 (E_RNA) where: Base-Base interactions energy: -1708.994 where: short stacking energy: -773.457 Base-Backbone interact. energy: -3.256 local terms energy: -865.883817 where: bonds (distance) C4'-P energy: -184.351 bonds (distance) P-C4' energy: -175.061 flat angles C4'-P-C4' energy: -203.714 flat angles P-C4'-P energy: -108.552 tors. eta vs tors. theta energy: -194.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -2564.482002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.482002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.482002 (E_RNA) where: Base-Base interactions energy: -1737.677 where: short stacking energy: -766.042 Base-Backbone interact. energy: 0.036 local terms energy: -826.840995 where: bonds (distance) C4'-P energy: -163.550 bonds (distance) P-C4' energy: -151.727 flat angles C4'-P-C4' energy: -188.531 flat angles P-C4'-P energy: -130.436 tors. eta vs tors. theta energy: -192.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -2307.037189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2307.037189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2307.037189 (E_RNA) where: Base-Base interactions energy: -1572.628 where: short stacking energy: -688.789 Base-Backbone interact. energy: -4.847 local terms energy: -729.561737 where: bonds (distance) C4'-P energy: -162.809 bonds (distance) P-C4' energy: -139.345 flat angles C4'-P-C4' energy: -141.713 flat angles P-C4'-P energy: -116.221 tors. eta vs tors. theta energy: -169.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -2066.461846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.461846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.461846 (E_RNA) where: Base-Base interactions energy: -1323.109 where: short stacking energy: -630.540 Base-Backbone interact. energy: -1.740 local terms energy: -741.612623 where: bonds (distance) C4'-P energy: -171.060 bonds (distance) P-C4' energy: -159.496 flat angles C4'-P-C4' energy: -156.093 flat angles P-C4'-P energy: -101.402 tors. eta vs tors. theta energy: -153.563 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: 7, replica: 9 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1718.234894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.234894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.234894 (E_RNA) where: Base-Base interactions energy: -1061.532 where: short stacking energy: -478.206 Base-Backbone interact. energy: -1.123 local terms energy: -655.579943 where: bonds (distance) C4'-P energy: -138.020 bonds (distance) P-C4' energy: -167.854 flat angles C4'-P-C4' energy: -151.508 flat angles P-C4'-P energy: -104.902 tors. eta vs tors. theta energy: -93.297 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: 1 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -1558.622963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.622963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.622963 (E_RNA) where: Base-Base interactions energy: -955.822 where: short stacking energy: -437.349 Base-Backbone interact. energy: -0.718 local terms energy: -602.082913 where: bonds (distance) C4'-P energy: -132.995 bonds (distance) P-C4' energy: -144.735 flat angles C4'-P-C4' energy: -163.272 flat angles P-C4'-P energy: -82.626 tors. eta vs tors. theta energy: -78.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -1182.093858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.093858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.093858 (E_RNA) where: Base-Base interactions energy: -683.392 where: short stacking energy: -351.152 Base-Backbone interact. energy: 0.483 local terms energy: -499.184487 where: bonds (distance) C4'-P energy: -131.515 bonds (distance) P-C4' energy: -146.546 flat angles C4'-P-C4' energy: -111.901 flat angles P-C4'-P energy: -76.010 tors. eta vs tors. theta energy: -33.212 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: 5 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -872.457614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.457614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.457614 (E_RNA) where: Base-Base interactions energy: -404.948 where: short stacking energy: -271.007 Base-Backbone interact. energy: 12.259 local terms energy: -479.768969 where: bonds (distance) C4'-P energy: -141.364 bonds (distance) P-C4' energy: -155.680 flat angles C4'-P-C4' energy: -114.082 flat angles P-C4'-P energy: -80.899 tors. eta vs tors. theta energy: 12.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -2873.896949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.896949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.896949 (E_RNA) where: Base-Base interactions energy: -1918.893 where: short stacking energy: -885.885 Base-Backbone interact. energy: -1.501 local terms energy: -953.502372 where: bonds (distance) C4'-P energy: -181.854 bonds (distance) P-C4' energy: -192.892 flat angles C4'-P-C4' energy: -189.353 flat angles P-C4'-P energy: -147.964 tors. eta vs tors. theta energy: -241.439 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: 2, replica: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -2790.767928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.767928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.767928 (E_RNA) where: Base-Base interactions energy: -1888.624 where: short stacking energy: -834.532 Base-Backbone interact. energy: 0.695 local terms energy: -902.839454 where: bonds (distance) C4'-P energy: -175.144 bonds (distance) P-C4' energy: -181.518 flat angles C4'-P-C4' energy: -197.476 flat angles P-C4'-P energy: -131.136 tors. eta vs tors. theta energy: -217.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -2547.325954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.325954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.325954 (E_RNA) where: Base-Base interactions energy: -1703.296 where: short stacking energy: -811.399 Base-Backbone interact. energy: -0.773 local terms energy: -843.256795 where: bonds (distance) C4'-P energy: -151.669 bonds (distance) P-C4' energy: -166.255 flat angles C4'-P-C4' energy: -190.661 flat angles P-C4'-P energy: -114.865 tors. eta vs tors. theta energy: -219.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -2612.693521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.693521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.693521 (E_RNA) where: Base-Base interactions energy: -1800.074 where: short stacking energy: -784.797 Base-Backbone interact. energy: -0.774 local terms energy: -811.845370 where: bonds (distance) C4'-P energy: -150.316 bonds (distance) P-C4' energy: -163.575 flat angles C4'-P-C4' energy: -177.052 flat angles P-C4'-P energy: -117.334 tors. eta vs tors. theta energy: -203.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -2364.459322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.459322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.459322 (E_RNA) where: Base-Base interactions energy: -1581.674 where: short stacking energy: -689.060 Base-Backbone interact. energy: -0.475 local terms energy: -782.310148 where: bonds (distance) C4'-P energy: -161.769 bonds (distance) P-C4' energy: -163.870 flat angles C4'-P-C4' energy: -162.518 flat angles P-C4'-P energy: -119.265 tors. eta vs tors. theta energy: -174.889 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: 58 Temperature: 1.150000 Total energy: -1994.663254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.663254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.663254 (E_RNA) where: Base-Base interactions energy: -1300.642 where: short stacking energy: -602.634 Base-Backbone interact. energy: -2.336 local terms energy: -691.685014 where: bonds (distance) C4'-P energy: -137.061 bonds (distance) P-C4' energy: -157.064 flat angles C4'-P-C4' energy: -159.746 flat angles P-C4'-P energy: -95.763 tors. eta vs tors. theta energy: -142.051 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: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1742.013737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.013737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.013737 (E_RNA) where: Base-Base interactions energy: -1128.338 where: short stacking energy: -503.417 Base-Backbone interact. energy: 1.380 local terms energy: -615.055886 where: bonds (distance) C4'-P energy: -159.034 bonds (distance) P-C4' energy: -158.322 flat angles C4'-P-C4' energy: -137.403 flat angles P-C4'-P energy: -76.680 tors. eta vs tors. theta energy: -83.617 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: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -1550.289744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.289744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.289744 (E_RNA) where: Base-Base interactions energy: -935.252 where: short stacking energy: -477.669 Base-Backbone interact. energy: 1.767 local terms energy: -616.804784 where: bonds (distance) C4'-P energy: -132.054 bonds (distance) P-C4' energy: -166.590 flat angles C4'-P-C4' energy: -156.586 flat angles P-C4'-P energy: -86.355 tors. eta vs tors. theta energy: -75.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -1120.704540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.704540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.704540 (E_RNA) where: Base-Base interactions energy: -571.765 where: short stacking energy: -306.634 Base-Backbone interact. energy: 0.865 local terms energy: -549.804752 where: bonds (distance) C4'-P energy: -145.206 bonds (distance) P-C4' energy: -170.767 flat angles C4'-P-C4' energy: -139.829 flat angles P-C4'-P energy: -67.655 tors. eta vs tors. theta energy: -26.349 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: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -886.587631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.587631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.587631 (E_RNA) where: Base-Base interactions energy: -398.679 where: short stacking energy: -271.524 Base-Backbone interact. energy: 6.213 local terms energy: -494.121840 where: bonds (distance) C4'-P energy: -126.496 bonds (distance) P-C4' energy: -159.758 flat angles C4'-P-C4' energy: -126.852 flat angles P-C4'-P energy: -83.368 tors. eta vs tors. theta energy: 2.351 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: 4 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -2819.912540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2819.912540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2819.912540 (E_RNA) where: Base-Base interactions energy: -1879.482 where: short stacking energy: -864.325 Base-Backbone interact. energy: 1.071 local terms energy: -941.501814 where: bonds (distance) C4'-P energy: -179.186 bonds (distance) P-C4' energy: -198.310 flat angles C4'-P-C4' energy: -192.150 flat angles P-C4'-P energy: -134.571 tors. eta vs tors. theta energy: -237.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -2810.296935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.296935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.296935 (E_RNA) where: Base-Base interactions energy: -1906.530 where: short stacking energy: -860.667 Base-Backbone interact. energy: -3.443 local terms energy: -900.324630 where: bonds (distance) C4'-P energy: -169.768 bonds (distance) P-C4' energy: -183.984 flat angles C4'-P-C4' energy: -201.028 flat angles P-C4'-P energy: -117.991 tors. eta vs tors. theta energy: -227.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -2557.077145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.077145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.077145 (E_RNA) where: Base-Base interactions energy: -1698.575 where: short stacking energy: -783.199 Base-Backbone interact. energy: -6.305 local terms energy: -852.197126 where: bonds (distance) C4'-P energy: -172.165 bonds (distance) P-C4' energy: -170.848 flat angles C4'-P-C4' energy: -193.649 flat angles P-C4'-P energy: -107.486 tors. eta vs tors. theta energy: -208.050 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: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -2614.368991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.368991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.368991 (E_RNA) where: Base-Base interactions energy: -1767.463 where: short stacking energy: -832.458 Base-Backbone interact. energy: -2.261 local terms energy: -844.645359 where: bonds (distance) C4'-P energy: -159.666 bonds (distance) P-C4' energy: -144.332 flat angles C4'-P-C4' energy: -184.230 flat angles P-C4'-P energy: -132.231 tors. eta vs tors. theta energy: -224.187 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: 10 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -2368.505492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.505492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.505492 (E_RNA) where: Base-Base interactions energy: -1585.327 where: short stacking energy: -660.682 Base-Backbone interact. energy: 0.643 local terms energy: -783.822042 where: bonds (distance) C4'-P energy: -163.949 bonds (distance) P-C4' energy: -162.172 flat angles C4'-P-C4' energy: -163.430 flat angles P-C4'-P energy: -112.515 tors. eta vs tors. theta energy: -181.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1969.705289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1969.705289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1969.705289 (E_RNA) where: Base-Base interactions energy: -1269.198 where: short stacking energy: -621.593 Base-Backbone interact. energy: 0.924 local terms energy: -701.430757 where: bonds (distance) C4'-P energy: -142.760 bonds (distance) P-C4' energy: -157.686 flat angles C4'-P-C4' energy: -163.053 flat angles P-C4'-P energy: -93.411 tors. eta vs tors. theta energy: -144.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1778.781755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.781755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.781755 (E_RNA) where: Base-Base interactions energy: -1128.081 where: short stacking energy: -515.125 Base-Backbone interact. energy: -0.049 local terms energy: -650.651514 where: bonds (distance) C4'-P energy: -131.352 bonds (distance) P-C4' energy: -138.976 flat angles C4'-P-C4' energy: -170.273 flat angles P-C4'-P energy: -106.016 tors. eta vs tors. theta energy: -104.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -1517.915074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.915074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.915074 (E_RNA) where: Base-Base interactions energy: -925.019 where: short stacking energy: -465.499 Base-Backbone interact. energy: -2.609 local terms energy: -590.287442 where: bonds (distance) C4'-P energy: -149.197 bonds (distance) P-C4' energy: -154.122 flat angles C4'-P-C4' energy: -153.569 flat angles P-C4'-P energy: -67.518 tors. eta vs tors. theta energy: -65.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -1087.282665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.282665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.282665 (E_RNA) where: Base-Base interactions energy: -596.618 where: short stacking energy: -346.209 Base-Backbone interact. energy: 2.395 local terms energy: -493.059545 where: bonds (distance) C4'-P energy: -134.466 bonds (distance) P-C4' energy: -163.916 flat angles C4'-P-C4' energy: -126.343 flat angles P-C4'-P energy: -59.553 tors. eta vs tors. theta energy: -8.781 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: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -895.749315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.749315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.749315 (E_RNA) where: Base-Base interactions energy: -421.494 where: short stacking energy: -240.522 Base-Backbone interact. energy: -1.242 local terms energy: -473.012877 where: bonds (distance) C4'-P energy: -147.078 bonds (distance) P-C4' energy: -152.496 flat angles C4'-P-C4' energy: -103.126 flat angles P-C4'-P energy: -78.862 tors. eta vs tors. theta energy: 8.548 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: 2 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -2861.257345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.257345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.257345 (E_RNA) where: Base-Base interactions energy: -1933.172 where: short stacking energy: -856.200 Base-Backbone interact. energy: -1.677 local terms energy: -926.408817 where: bonds (distance) C4'-P energy: -183.996 bonds (distance) P-C4' energy: -181.283 flat angles C4'-P-C4' energy: -198.646 flat angles P-C4'-P energy: -135.929 tors. eta vs tors. theta energy: -226.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -2714.728700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.728700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.728700 (E_RNA) where: Base-Base interactions energy: -1843.069 where: short stacking energy: -806.089 Base-Backbone interact. energy: 1.794 local terms energy: -873.453845 where: bonds (distance) C4'-P energy: -154.159 bonds (distance) P-C4' energy: -170.226 flat angles C4'-P-C4' energy: -195.809 flat angles P-C4'-P energy: -130.419 tors. eta vs tors. theta energy: -222.841 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: 8 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -2546.127810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.127810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.127810 (E_RNA) where: Base-Base interactions energy: -1694.532 where: short stacking energy: -812.048 Base-Backbone interact. energy: -3.692 local terms energy: -847.903755 where: bonds (distance) C4'-P energy: -163.526 bonds (distance) P-C4' energy: -167.029 flat angles C4'-P-C4' energy: -194.837 flat angles P-C4'-P energy: -116.104 tors. eta vs tors. theta energy: -206.407 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: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -2598.870843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.870843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.870843 (E_RNA) where: Base-Base interactions energy: -1792.533 where: short stacking energy: -805.816 Base-Backbone interact. energy: -2.118 local terms energy: -804.219612 where: bonds (distance) C4'-P energy: -142.879 bonds (distance) P-C4' energy: -162.922 flat angles C4'-P-C4' energy: -179.862 flat angles P-C4'-P energy: -100.462 tors. eta vs tors. theta energy: -218.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -2391.511655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.511655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.511655 (E_RNA) where: Base-Base interactions energy: -1616.303 where: short stacking energy: -678.292 Base-Backbone interact. energy: -10.745 local terms energy: -764.464099 where: bonds (distance) C4'-P energy: -158.856 bonds (distance) P-C4' energy: -155.281 flat angles C4'-P-C4' energy: -175.097 flat angles P-C4'-P energy: -111.603 tors. eta vs tors. theta energy: -163.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -2004.003435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.003435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.003435 (E_RNA) where: Base-Base interactions energy: -1263.235 where: short stacking energy: -608.370 Base-Backbone interact. energy: -2.117 local terms energy: -738.651988 where: bonds (distance) C4'-P energy: -163.618 bonds (distance) P-C4' energy: -156.437 flat angles C4'-P-C4' energy: -174.967 flat angles P-C4'-P energy: -96.413 tors. eta vs tors. theta energy: -147.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1827.874637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.874637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.874637 (E_RNA) where: Base-Base interactions energy: -1159.505 where: short stacking energy: -543.757 Base-Backbone interact. energy: 0.694 local terms energy: -669.064308 where: bonds (distance) C4'-P energy: -150.392 bonds (distance) P-C4' energy: -167.826 flat angles C4'-P-C4' energy: -156.335 flat angles P-C4'-P energy: -94.748 tors. eta vs tors. theta energy: -99.762 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: 1 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -1589.655680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.655680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.655680 (E_RNA) where: Base-Base interactions energy: -976.998 where: short stacking energy: -480.346 Base-Backbone interact. energy: -2.104 local terms energy: -610.553853 where: bonds (distance) C4'-P energy: -138.146 bonds (distance) P-C4' energy: -161.589 flat angles C4'-P-C4' energy: -142.240 flat angles P-C4'-P energy: -83.794 tors. eta vs tors. theta energy: -84.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -1062.002368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.002368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.002368 (E_RNA) where: Base-Base interactions energy: -537.550 where: short stacking energy: -317.282 Base-Backbone interact. energy: -0.862 local terms energy: -523.590764 where: bonds (distance) C4'-P energy: -127.699 bonds (distance) P-C4' energy: -153.716 flat angles C4'-P-C4' energy: -150.382 flat angles P-C4'-P energy: -90.246 tors. eta vs tors. theta energy: -1.548 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: 5 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -962.548518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.548518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.548518 (E_RNA) where: Base-Base interactions energy: -471.001 where: short stacking energy: -258.777 Base-Backbone interact. energy: 2.365 local terms energy: -493.911843 where: bonds (distance) C4'-P energy: -157.378 bonds (distance) P-C4' energy: -133.707 flat angles C4'-P-C4' energy: -137.054 flat angles P-C4'-P energy: -81.492 tors. eta vs tors. theta energy: 15.718 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: 1, replica: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -2885.915371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.915371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.915371 (E_RNA) where: Base-Base interactions energy: -1989.004 where: short stacking energy: -903.052 Base-Backbone interact. energy: -1.809 local terms energy: -895.102253 where: bonds (distance) C4'-P energy: -167.534 bonds (distance) P-C4' energy: -174.082 flat angles C4'-P-C4' energy: -188.786 flat angles P-C4'-P energy: -119.896 tors. eta vs tors. theta energy: -244.803 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: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -2771.534158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.534158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.534158 (E_RNA) where: Base-Base interactions energy: -1871.840 where: short stacking energy: -839.884 Base-Backbone interact. energy: -2.116 local terms energy: -897.578099 where: bonds (distance) C4'-P energy: -184.080 bonds (distance) P-C4' energy: -176.275 flat angles C4'-P-C4' energy: -188.836 flat angles P-C4'-P energy: -131.810 tors. eta vs tors. theta energy: -216.577 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: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -2533.964130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.964130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.964130 (E_RNA) where: Base-Base interactions energy: -1686.258 where: short stacking energy: -773.396 Base-Backbone interact. energy: -4.017 local terms energy: -843.689136 where: bonds (distance) C4'-P energy: -165.477 bonds (distance) P-C4' energy: -175.876 flat angles C4'-P-C4' energy: -197.441 flat angles P-C4'-P energy: -121.691 tors. eta vs tors. theta energy: -183.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -2648.183178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.183178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.183178 (E_RNA) where: Base-Base interactions energy: -1801.444 where: short stacking energy: -795.137 Base-Backbone interact. energy: -0.288 local terms energy: -846.451288 where: bonds (distance) C4'-P energy: -153.929 bonds (distance) P-C4' energy: -160.479 flat angles C4'-P-C4' energy: -188.421 flat angles P-C4'-P energy: -126.962 tors. eta vs tors. theta energy: -216.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -2452.843620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.843620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.843620 (E_RNA) where: Base-Base interactions energy: -1677.053 where: short stacking energy: -713.562 Base-Backbone interact. energy: -5.570 local terms energy: -770.220558 where: bonds (distance) C4'-P energy: -162.547 bonds (distance) P-C4' energy: -158.468 flat angles C4'-P-C4' energy: -167.495 flat angles P-C4'-P energy: -108.624 tors. eta vs tors. theta energy: -173.087 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: 6 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -2018.262421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.262421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.262421 (E_RNA) where: Base-Base interactions energy: -1303.319 where: short stacking energy: -617.539 Base-Backbone interact. energy: -3.797 local terms energy: -711.146310 where: bonds (distance) C4'-P energy: -141.953 bonds (distance) P-C4' energy: -173.968 flat angles C4'-P-C4' energy: -154.620 flat angles P-C4'-P energy: -106.827 tors. eta vs tors. theta energy: -133.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1863.497287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.497287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.497287 (E_RNA) where: Base-Base interactions energy: -1187.989 where: short stacking energy: -558.440 Base-Backbone interact. energy: -2.272 local terms energy: -673.236402 where: bonds (distance) C4'-P energy: -148.910 bonds (distance) P-C4' energy: -155.270 flat angles C4'-P-C4' energy: -150.180 flat angles P-C4'-P energy: -104.441 tors. eta vs tors. theta energy: -114.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -1585.434970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.434970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.434970 (E_RNA) where: Base-Base interactions energy: -946.404 where: short stacking energy: -468.847 Base-Backbone interact. energy: 2.022 local terms energy: -641.052232 where: bonds (distance) C4'-P energy: -158.668 bonds (distance) P-C4' energy: -145.337 flat angles C4'-P-C4' energy: -143.433 flat angles P-C4'-P energy: -79.192 tors. eta vs tors. theta energy: -114.423 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: 9, replica: 3 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -1062.512900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.512900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.512900 (E_RNA) where: Base-Base interactions energy: -539.679 where: short stacking energy: -339.896 Base-Backbone interact. energy: -3.902 local terms energy: -518.931865 where: bonds (distance) C4'-P energy: -142.126 bonds (distance) P-C4' energy: -150.290 flat angles C4'-P-C4' energy: -120.367 flat angles P-C4'-P energy: -83.802 tors. eta vs tors. theta energy: -22.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -843.916607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.916607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.916607 (E_RNA) where: Base-Base interactions energy: -389.497 where: short stacking energy: -266.043 Base-Backbone interact. energy: 3.469 local terms energy: -457.889449 where: bonds (distance) C4'-P energy: -152.022 bonds (distance) P-C4' energy: -153.698 flat angles C4'-P-C4' energy: -115.068 flat angles P-C4'-P energy: -52.077 tors. eta vs tors. theta energy: 14.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -2939.829777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.829777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.829777 (E_RNA) where: Base-Base interactions energy: -2023.576 where: short stacking energy: -904.156 Base-Backbone interact. energy: -1.835 local terms energy: -914.418542 where: bonds (distance) C4'-P energy: -172.805 bonds (distance) P-C4' energy: -183.287 flat angles C4'-P-C4' energy: -198.527 flat angles P-C4'-P energy: -113.571 tors. eta vs tors. theta energy: -246.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -2741.397777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.397777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.397777 (E_RNA) where: Base-Base interactions energy: -1846.720 where: short stacking energy: -779.817 Base-Backbone interact. energy: -3.170 local terms energy: -891.508594 where: bonds (distance) C4'-P energy: -181.873 bonds (distance) P-C4' energy: -168.849 flat angles C4'-P-C4' energy: -194.522 flat angles P-C4'-P energy: -129.858 tors. eta vs tors. theta energy: -216.406 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: 7 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -2755.383323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.383323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.383323 (E_RNA) where: Base-Base interactions energy: -1867.466 where: short stacking energy: -819.627 Base-Backbone interact. energy: -1.898 local terms energy: -886.018514 where: bonds (distance) C4'-P energy: -178.775 bonds (distance) P-C4' energy: -164.924 flat angles C4'-P-C4' energy: -189.579 flat angles P-C4'-P energy: -117.014 tors. eta vs tors. theta energy: -235.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -2450.624164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.624164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.624164 (E_RNA) where: Base-Base interactions energy: -1629.378 where: short stacking energy: -746.924 Base-Backbone interact. energy: -4.244 local terms energy: -817.002240 where: bonds (distance) C4'-P energy: -157.218 bonds (distance) P-C4' energy: -185.716 flat angles C4'-P-C4' energy: -192.290 flat angles P-C4'-P energy: -113.285 tors. eta vs tors. theta energy: -168.494 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: 5, replica: 10 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -2442.010062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.010062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.010062 (E_RNA) where: Base-Base interactions energy: -1710.907 where: short stacking energy: -735.814 Base-Backbone interact. energy: -2.500 local terms energy: -728.602933 where: bonds (distance) C4'-P energy: -138.169 bonds (distance) P-C4' energy: -144.339 flat angles C4'-P-C4' energy: -178.797 flat angles P-C4'-P energy: -108.680 tors. eta vs tors. theta energy: -158.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -2025.266843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2025.266843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2025.266843 (E_RNA) where: Base-Base interactions energy: -1340.020 where: short stacking energy: -623.919 Base-Backbone interact. energy: 2.269 local terms energy: -687.515929 where: bonds (distance) C4'-P energy: -126.781 bonds (distance) P-C4' energy: -172.204 flat angles C4'-P-C4' energy: -154.781 flat angles P-C4'-P energy: -96.918 tors. eta vs tors. theta energy: -136.833 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: 7, replica: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1814.294868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.294868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.294868 (E_RNA) where: Base-Base interactions energy: -1141.931 where: short stacking energy: -542.410 Base-Backbone interact. energy: 0.118 local terms energy: -672.481897 where: bonds (distance) C4'-P energy: -140.828 bonds (distance) P-C4' energy: -164.406 flat angles C4'-P-C4' energy: -163.982 flat angles P-C4'-P energy: -107.857 tors. eta vs tors. theta energy: -95.409 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: 1 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -1574.985239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.985239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.985239 (E_RNA) where: Base-Base interactions energy: -951.436 where: short stacking energy: -477.263 Base-Backbone interact. energy: -1.109 local terms energy: -622.439637 where: bonds (distance) C4'-P energy: -143.231 bonds (distance) P-C4' energy: -158.028 flat angles C4'-P-C4' energy: -160.774 flat angles P-C4'-P energy: -72.909 tors. eta vs tors. theta energy: -87.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -1023.324298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.324298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.324298 (E_RNA) where: Base-Base interactions energy: -507.180 where: short stacking energy: -317.112 Base-Backbone interact. energy: 0.471 local terms energy: -516.614925 where: bonds (distance) C4'-P energy: -141.932 bonds (distance) P-C4' energy: -159.538 flat angles C4'-P-C4' energy: -125.925 flat angles P-C4'-P energy: -63.155 tors. eta vs tors. theta energy: -26.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -845.166969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.166969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.166969 (E_RNA) where: Base-Base interactions energy: -363.971 where: short stacking energy: -232.141 Base-Backbone interact. energy: 1.419 local terms energy: -482.614961 where: bonds (distance) C4'-P energy: -132.185 bonds (distance) P-C4' energy: -169.128 flat angles C4'-P-C4' energy: -110.617 flat angles P-C4'-P energy: -85.982 tors. eta vs tors. theta energy: 15.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -2883.111823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.111823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.111823 (E_RNA) where: Base-Base interactions energy: -1969.546 where: short stacking energy: -883.033 Base-Backbone interact. energy: -1.827 local terms energy: -911.739318 where: bonds (distance) C4'-P energy: -173.441 bonds (distance) P-C4' energy: -163.247 flat angles C4'-P-C4' energy: -205.993 flat angles P-C4'-P energy: -134.514 tors. eta vs tors. theta energy: -234.544 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: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -2757.653508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.653508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.653508 (E_RNA) where: Base-Base interactions energy: -1864.315 where: short stacking energy: -809.171 Base-Backbone interact. energy: -5.304 local terms energy: -888.034218 where: bonds (distance) C4'-P energy: -181.609 bonds (distance) P-C4' energy: -169.680 flat angles C4'-P-C4' energy: -198.712 flat angles P-C4'-P energy: -118.488 tors. eta vs tors. theta energy: -219.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -2770.621516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.621516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.621516 (E_RNA) where: Base-Base interactions energy: -1895.299 where: short stacking energy: -842.509 Base-Backbone interact. energy: -3.809 local terms energy: -871.513450 where: bonds (distance) C4'-P energy: -156.730 bonds (distance) P-C4' energy: -177.265 flat angles C4'-P-C4' energy: -195.015 flat angles P-C4'-P energy: -113.521 tors. eta vs tors. theta energy: -228.982 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: 4, replica: 10 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -2553.770191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.770191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.770191 (E_RNA) where: Base-Base interactions energy: -1733.904 where: short stacking energy: -729.805 Base-Backbone interact. energy: -4.561 local terms energy: -815.306006 where: bonds (distance) C4'-P energy: -161.603 bonds (distance) P-C4' energy: -184.749 flat angles C4'-P-C4' energy: -173.472 flat angles P-C4'-P energy: -107.816 tors. eta vs tors. theta energy: -187.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -2338.785399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2338.785399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2338.785399 (E_RNA) where: Base-Base interactions energy: -1546.155 where: short stacking energy: -700.151 Base-Backbone interact. energy: 0.958 local terms energy: -793.588263 where: bonds (distance) C4'-P energy: -168.909 bonds (distance) P-C4' energy: -162.582 flat angles C4'-P-C4' energy: -181.735 flat angles P-C4'-P energy: -116.291 tors. eta vs tors. theta energy: -164.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1970.437340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.437340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.437340 (E_RNA) where: Base-Base interactions energy: -1275.102 where: short stacking energy: -598.433 Base-Backbone interact. energy: -2.318 local terms energy: -693.017529 where: bonds (distance) C4'-P energy: -142.608 bonds (distance) P-C4' energy: -141.570 flat angles C4'-P-C4' energy: -167.789 flat angles P-C4'-P energy: -98.914 tors. eta vs tors. theta energy: -142.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1831.558754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.558754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.558754 (E_RNA) where: Base-Base interactions energy: -1146.925 where: short stacking energy: -523.918 Base-Backbone interact. energy: -0.600 local terms energy: -684.033562 where: bonds (distance) C4'-P energy: -156.373 bonds (distance) P-C4' energy: -171.249 flat angles C4'-P-C4' energy: -151.128 flat angles P-C4'-P energy: -108.992 tors. eta vs tors. theta energy: -96.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -1652.584233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.584233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.584233 (E_RNA) where: Base-Base interactions energy: -1036.458 where: short stacking energy: -506.063 Base-Backbone interact. energy: -0.213 local terms energy: -615.913521 where: bonds (distance) C4'-P energy: -142.624 bonds (distance) P-C4' energy: -159.293 flat angles C4'-P-C4' energy: -129.318 flat angles P-C4'-P energy: -98.784 tors. eta vs tors. theta energy: -85.895 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: 3 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -1035.742919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.742919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.742919 (E_RNA) where: Base-Base interactions energy: -529.225 where: short stacking energy: -339.766 Base-Backbone interact. energy: 4.860 local terms energy: -511.377364 where: bonds (distance) C4'-P energy: -103.329 bonds (distance) P-C4' energy: -144.862 flat angles C4'-P-C4' energy: -154.631 flat angles P-C4'-P energy: -82.105 tors. eta vs tors. theta energy: -26.451 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: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -852.451367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.451367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.451367 (E_RNA) where: Base-Base interactions energy: -401.898 where: short stacking energy: -283.740 Base-Backbone interact. energy: 1.426 local terms energy: -451.980104 where: bonds (distance) C4'-P energy: -109.405 bonds (distance) P-C4' energy: -157.739 flat angles C4'-P-C4' energy: -110.797 flat angles P-C4'-P energy: -90.320 tors. eta vs tors. theta energy: 16.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -2905.390764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.390764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.390764 (E_RNA) where: Base-Base interactions energy: -1966.180 where: short stacking energy: -871.670 Base-Backbone interact. energy: 3.787 local terms energy: -942.998198 where: bonds (distance) C4'-P energy: -180.826 bonds (distance) P-C4' energy: -183.981 flat angles C4'-P-C4' energy: -199.121 flat angles P-C4'-P energy: -137.482 tors. eta vs tors. theta energy: -241.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -2796.844444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.844444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.844444 (E_RNA) where: Base-Base interactions energy: -1891.359 where: short stacking energy: -840.710 Base-Backbone interact. energy: -5.108 local terms energy: -900.377808 where: bonds (distance) C4'-P energy: -179.306 bonds (distance) P-C4' energy: -183.946 flat angles C4'-P-C4' energy: -196.540 flat angles P-C4'-P energy: -126.957 tors. eta vs tors. theta energy: -213.629 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: 3, replica: 7 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -2813.211968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.211968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.211968 (E_RNA) where: Base-Base interactions energy: -1929.431 where: short stacking energy: -848.236 Base-Backbone interact. energy: -0.702 local terms energy: -883.079094 where: bonds (distance) C4'-P energy: -165.128 bonds (distance) P-C4' energy: -160.298 flat angles C4'-P-C4' energy: -186.299 flat angles P-C4'-P energy: -137.258 tors. eta vs tors. theta energy: -234.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -2565.271540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.271540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.271540 (E_RNA) where: Base-Base interactions energy: -1772.200 where: short stacking energy: -752.937 Base-Backbone interact. energy: -5.533 local terms energy: -787.538496 where: bonds (distance) C4'-P energy: -168.963 bonds (distance) P-C4' energy: -163.348 flat angles C4'-P-C4' energy: -167.436 flat angles P-C4'-P energy: -101.577 tors. eta vs tors. theta energy: -186.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -2340.822294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.822294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.822294 (E_RNA) where: Base-Base interactions energy: -1596.811 where: short stacking energy: -704.684 Base-Backbone interact. energy: -2.896 local terms energy: -741.115398 where: bonds (distance) C4'-P energy: -142.958 bonds (distance) P-C4' energy: -173.819 flat angles C4'-P-C4' energy: -172.129 flat angles P-C4'-P energy: -92.671 tors. eta vs tors. theta energy: -159.538 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: 64 Temperature: 1.150000 Total energy: -2048.395459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.395459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.395459 (E_RNA) where: Base-Base interactions energy: -1340.170 where: short stacking energy: -609.466 Base-Backbone interact. energy: 1.063 local terms energy: -709.288831 where: bonds (distance) C4'-P energy: -155.359 bonds (distance) P-C4' energy: -165.904 flat angles C4'-P-C4' energy: -159.416 flat angles P-C4'-P energy: -102.425 tors. eta vs tors. theta energy: -126.186 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: 9 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1877.366921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.366921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.366921 (E_RNA) where: Base-Base interactions energy: -1241.870 where: short stacking energy: -559.218 Base-Backbone interact. energy: 3.887 local terms energy: -639.384411 where: bonds (distance) C4'-P energy: -146.173 bonds (distance) P-C4' energy: -142.986 flat angles C4'-P-C4' energy: -148.164 flat angles P-C4'-P energy: -83.794 tors. eta vs tors. theta energy: -118.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -1637.913609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.913609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.913609 (E_RNA) where: Base-Base interactions energy: -987.625 where: short stacking energy: -466.957 Base-Backbone interact. energy: -0.819 local terms energy: -649.469498 where: bonds (distance) C4'-P energy: -142.838 bonds (distance) P-C4' energy: -156.495 flat angles C4'-P-C4' energy: -147.725 flat angles P-C4'-P energy: -98.980 tors. eta vs tors. theta energy: -103.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -1063.977484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.977484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.977484 (E_RNA) where: Base-Base interactions energy: -582.805 where: short stacking energy: -341.790 Base-Backbone interact. energy: -0.280 local terms energy: -480.892581 where: bonds (distance) C4'-P energy: -126.565 bonds (distance) P-C4' energy: -136.016 flat angles C4'-P-C4' energy: -131.714 flat angles P-C4'-P energy: -70.153 tors. eta vs tors. theta energy: -16.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -825.164468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.164468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.164468 (E_RNA) where: Base-Base interactions energy: -369.644 where: short stacking energy: -218.960 Base-Backbone interact. energy: -1.707 local terms energy: -453.813741 where: bonds (distance) C4'-P energy: -127.119 bonds (distance) P-C4' energy: -142.083 flat angles C4'-P-C4' energy: -139.335 flat angles P-C4'-P energy: -69.248 tors. eta vs tors. theta energy: 23.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -2941.278041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.278041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.278041 (E_RNA) where: Base-Base interactions energy: -2022.494 where: short stacking energy: -906.634 Base-Backbone interact. energy: -1.199 local terms energy: -917.585568 where: bonds (distance) C4'-P energy: -176.417 bonds (distance) P-C4' energy: -171.839 flat angles C4'-P-C4' energy: -212.066 flat angles P-C4'-P energy: -122.680 tors. eta vs tors. theta energy: -234.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -2929.016147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.016147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.016147 (E_RNA) where: Base-Base interactions energy: -1986.351 where: short stacking energy: -848.416 Base-Backbone interact. energy: -2.714 local terms energy: -939.951489 where: bonds (distance) C4'-P energy: -170.427 bonds (distance) P-C4' energy: -194.530 flat angles C4'-P-C4' energy: -201.259 flat angles P-C4'-P energy: -141.560 tors. eta vs tors. theta energy: -232.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -2750.118336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.118336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.118336 (E_RNA) where: Base-Base interactions energy: -1854.599 where: short stacking energy: -817.772 Base-Backbone interact. energy: -2.153 local terms energy: -893.365911 where: bonds (distance) C4'-P energy: -173.332 bonds (distance) P-C4' energy: -169.261 flat angles C4'-P-C4' energy: -191.683 flat angles P-C4'-P energy: -133.307 tors. eta vs tors. theta energy: -225.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -2521.473571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.473571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.473571 (E_RNA) where: Base-Base interactions energy: -1680.662 where: short stacking energy: -734.102 Base-Backbone interact. energy: -3.208 local terms energy: -837.603234 where: bonds (distance) C4'-P energy: -166.642 bonds (distance) P-C4' energy: -176.629 flat angles C4'-P-C4' energy: -188.246 flat angles P-C4'-P energy: -106.578 tors. eta vs tors. theta energy: -199.509 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: 65 Temperature: 1.100000 Total energy: -2345.180142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.180142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.180142 (E_RNA) where: Base-Base interactions energy: -1610.387 where: short stacking energy: -676.743 Base-Backbone interact. energy: -1.290 local terms energy: -733.503210 where: bonds (distance) C4'-P energy: -154.949 bonds (distance) P-C4' energy: -155.310 flat angles C4'-P-C4' energy: -166.956 flat angles P-C4'-P energy: -93.863 tors. eta vs tors. theta energy: -162.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -2086.581475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2086.581475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2086.581475 (E_RNA) where: Base-Base interactions energy: -1313.388 where: short stacking energy: -623.382 Base-Backbone interact. energy: -2.091 local terms energy: -771.102198 where: bonds (distance) C4'-P energy: -161.516 bonds (distance) P-C4' energy: -185.093 flat angles C4'-P-C4' energy: -166.092 flat angles P-C4'-P energy: -106.269 tors. eta vs tors. theta energy: -152.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1892.382915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.382915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.382915 (E_RNA) where: Base-Base interactions energy: -1214.146 where: short stacking energy: -523.887 Base-Backbone interact. energy: -4.711 local terms energy: -673.525658 where: bonds (distance) C4'-P energy: -155.523 bonds (distance) P-C4' energy: -158.691 flat angles C4'-P-C4' energy: -158.458 flat angles P-C4'-P energy: -100.108 tors. eta vs tors. theta energy: -100.746 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: 1 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -1649.242502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.242502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.242502 (E_RNA) where: Base-Base interactions energy: -1015.867 where: short stacking energy: -497.462 Base-Backbone interact. energy: 8.167 local terms energy: -641.542100 where: bonds (distance) C4'-P energy: -137.525 bonds (distance) P-C4' energy: -148.857 flat angles C4'-P-C4' energy: -165.427 flat angles P-C4'-P energy: -89.243 tors. eta vs tors. theta energy: -100.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -1072.820669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.820669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.820669 (E_RNA) where: Base-Base interactions energy: -548.276 where: short stacking energy: -309.283 Base-Backbone interact. energy: -1.446 local terms energy: -523.098432 where: bonds (distance) C4'-P energy: -134.051 bonds (distance) P-C4' energy: -154.584 flat angles C4'-P-C4' energy: -132.607 flat angles P-C4'-P energy: -87.439 tors. eta vs tors. theta energy: -14.417 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: 5 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -818.426862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.426862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.426862 (E_RNA) where: Base-Base interactions energy: -372.296 where: short stacking energy: -225.400 Base-Backbone interact. energy: 0.533 local terms energy: -446.664158 where: bonds (distance) C4'-P energy: -160.863 bonds (distance) P-C4' energy: -152.907 flat angles C4'-P-C4' energy: -93.483 flat angles P-C4'-P energy: -59.268 tors. eta vs tors. theta energy: 19.857 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: 2 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -2914.075247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.075247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.075247 (E_RNA) where: Base-Base interactions energy: -1988.149 where: short stacking energy: -862.211 Base-Backbone interact. energy: -5.501 local terms energy: -920.425429 where: bonds (distance) C4'-P energy: -169.641 bonds (distance) P-C4' energy: -182.679 flat angles C4'-P-C4' energy: -210.204 flat angles P-C4'-P energy: -128.871 tors. eta vs tors. theta energy: -229.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -2899.268579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.268579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.268579 (E_RNA) where: Base-Base interactions energy: -1955.658 where: short stacking energy: -880.667 Base-Backbone interact. energy: -1.754 local terms energy: -941.856456 where: bonds (distance) C4'-P energy: -184.928 bonds (distance) P-C4' energy: -159.872 flat angles C4'-P-C4' energy: -200.309 flat angles P-C4'-P energy: -152.328 tors. eta vs tors. theta energy: -244.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -2684.431746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.431746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.431746 (E_RNA) where: Base-Base interactions energy: -1840.909 where: short stacking energy: -813.469 Base-Backbone interact. energy: -2.971 local terms energy: -840.551920 where: bonds (distance) C4'-P energy: -166.809 bonds (distance) P-C4' energy: -166.404 flat angles C4'-P-C4' energy: -179.492 flat angles P-C4'-P energy: -108.446 tors. eta vs tors. theta energy: -219.401 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: 10 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -2537.257026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.257026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.257026 (E_RNA) where: Base-Base interactions energy: -1707.759 where: short stacking energy: -733.749 Base-Backbone interact. energy: -0.826 local terms energy: -828.672103 where: bonds (distance) C4'-P energy: -156.147 bonds (distance) P-C4' energy: -180.725 flat angles C4'-P-C4' energy: -181.760 flat angles P-C4'-P energy: -105.795 tors. eta vs tors. theta energy: -204.245 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: 5, replica: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -2366.921981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.921981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.921981 (E_RNA) where: Base-Base interactions energy: -1593.561 where: short stacking energy: -689.016 Base-Backbone interact. energy: -4.274 local terms energy: -769.087219 where: bonds (distance) C4'-P energy: -171.154 bonds (distance) P-C4' energy: -164.700 flat angles C4'-P-C4' energy: -164.625 flat angles P-C4'-P energy: -94.847 tors. eta vs tors. theta energy: -173.761 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: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -2052.738378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.738378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.738378 (E_RNA) where: Base-Base interactions energy: -1339.156 where: short stacking energy: -627.831 Base-Backbone interact. energy: -1.095 local terms energy: -712.487753 where: bonds (distance) C4'-P energy: -160.276 bonds (distance) P-C4' energy: -149.124 flat angles C4'-P-C4' energy: -164.263 flat angles P-C4'-P energy: -93.180 tors. eta vs tors. theta energy: -145.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1856.773611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.773611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.773611 (E_RNA) where: Base-Base interactions energy: -1201.683 where: short stacking energy: -552.951 Base-Backbone interact. energy: 0.752 local terms energy: -655.842308 where: bonds (distance) C4'-P energy: -138.594 bonds (distance) P-C4' energy: -164.760 flat angles C4'-P-C4' energy: -151.199 flat angles P-C4'-P energy: -98.136 tors. eta vs tors. theta energy: -103.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -1643.114740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.114740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.114740 (E_RNA) where: Base-Base interactions energy: -990.482 where: short stacking energy: -446.699 Base-Backbone interact. energy: -1.285 local terms energy: -651.347880 where: bonds (distance) C4'-P energy: -149.377 bonds (distance) P-C4' energy: -148.992 flat angles C4'-P-C4' energy: -169.523 flat angles P-C4'-P energy: -98.358 tors. eta vs tors. theta energy: -85.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -1112.200682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.200682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.200682 (E_RNA) where: Base-Base interactions energy: -574.331 where: short stacking energy: -313.382 Base-Backbone interact. energy: 1.466 local terms energy: -539.334944 where: bonds (distance) C4'-P energy: -133.527 bonds (distance) P-C4' energy: -167.785 flat angles C4'-P-C4' energy: -123.078 flat angles P-C4'-P energy: -94.023 tors. eta vs tors. theta energy: -20.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -819.590145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.590145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.590145 (E_RNA) where: Base-Base interactions energy: -350.203 where: short stacking energy: -221.126 Base-Backbone interact. energy: 2.489 local terms energy: -471.875822 where: bonds (distance) C4'-P energy: -146.033 bonds (distance) P-C4' energy: -131.459 flat angles C4'-P-C4' energy: -123.853 flat angles P-C4'-P energy: -70.420 tors. eta vs tors. theta energy: -0.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -2939.144605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.144605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.144605 (E_RNA) where: Base-Base interactions energy: -1997.658 where: short stacking energy: -889.318 Base-Backbone interact. energy: -4.053 local terms energy: -937.433883 where: bonds (distance) C4'-P energy: -175.453 bonds (distance) P-C4' energy: -187.983 flat angles C4'-P-C4' energy: -200.150 flat angles P-C4'-P energy: -128.624 tors. eta vs tors. theta energy: -245.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -2920.302520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.302520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.302520 (E_RNA) where: Base-Base interactions energy: -1996.489 where: short stacking energy: -863.304 Base-Backbone interact. energy: -0.334 local terms energy: -923.479009 where: bonds (distance) C4'-P energy: -167.954 bonds (distance) P-C4' energy: -165.238 flat angles C4'-P-C4' energy: -201.364 flat angles P-C4'-P energy: -141.230 tors. eta vs tors. theta energy: -247.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -2714.171362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.171362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.171362 (E_RNA) where: Base-Base interactions energy: -1831.171 where: short stacking energy: -765.431 Base-Backbone interact. energy: -2.311 local terms energy: -880.689082 where: bonds (distance) C4'-P energy: -180.070 bonds (distance) P-C4' energy: -184.407 flat angles C4'-P-C4' energy: -191.944 flat angles P-C4'-P energy: -118.571 tors. eta vs tors. theta energy: -205.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -2588.312491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.312491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.312491 (E_RNA) where: Base-Base interactions energy: -1741.546 where: short stacking energy: -758.368 Base-Backbone interact. energy: -0.061 local terms energy: -846.705875 where: bonds (distance) C4'-P energy: -166.592 bonds (distance) P-C4' energy: -175.110 flat angles C4'-P-C4' energy: -180.766 flat angles P-C4'-P energy: -127.888 tors. eta vs tors. theta energy: -196.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -2363.946093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.946093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.946093 (E_RNA) where: Base-Base interactions energy: -1598.339 where: short stacking energy: -692.475 Base-Backbone interact. energy: -4.456 local terms energy: -761.151213 where: bonds (distance) C4'-P energy: -148.156 bonds (distance) P-C4' energy: -162.474 flat angles C4'-P-C4' energy: -172.563 flat angles P-C4'-P energy: -104.574 tors. eta vs tors. theta energy: -173.384 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: 67 Temperature: 1.150000 Total energy: -2205.799844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.799844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.799844 (E_RNA) where: Base-Base interactions energy: -1455.675 where: short stacking energy: -697.175 Base-Backbone interact. energy: 0.559 local terms energy: -750.684731 where: bonds (distance) C4'-P energy: -157.048 bonds (distance) P-C4' energy: -163.579 flat angles C4'-P-C4' energy: -167.758 flat angles P-C4'-P energy: -87.853 tors. eta vs tors. theta energy: -174.447 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: 9 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1797.268526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.268526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.268526 (E_RNA) where: Base-Base interactions energy: -1144.449 where: short stacking energy: -535.744 Base-Backbone interact. energy: 1.794 local terms energy: -654.613470 where: bonds (distance) C4'-P energy: -137.954 bonds (distance) P-C4' energy: -162.784 flat angles C4'-P-C4' energy: -145.640 flat angles P-C4'-P energy: -104.634 tors. eta vs tors. theta energy: -103.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -1710.328926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.328926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.328926 (E_RNA) where: Base-Base interactions energy: -1070.093 where: short stacking energy: -503.118 Base-Backbone interact. energy: -0.056 local terms energy: -640.179993 where: bonds (distance) C4'-P energy: -157.092 bonds (distance) P-C4' energy: -164.979 flat angles C4'-P-C4' energy: -143.853 flat angles P-C4'-P energy: -83.886 tors. eta vs tors. theta energy: -90.370 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: 3 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -1084.497254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.497254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.497254 (E_RNA) where: Base-Base interactions energy: -540.194 where: short stacking energy: -297.087 Base-Backbone interact. energy: -3.495 local terms energy: -540.808509 where: bonds (distance) C4'-P energy: -148.921 bonds (distance) P-C4' energy: -154.344 flat angles C4'-P-C4' energy: -128.200 flat angles P-C4'-P energy: -88.899 tors. eta vs tors. theta energy: -20.444 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: 5 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -842.768020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.768020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.768020 (E_RNA) where: Base-Base interactions energy: -413.138 where: short stacking energy: -242.929 Base-Backbone interact. energy: 0.013 local terms energy: -429.643245 where: bonds (distance) C4'-P energy: -145.403 bonds (distance) P-C4' energy: -116.923 flat angles C4'-P-C4' energy: -113.521 flat angles P-C4'-P energy: -62.817 tors. eta vs tors. theta energy: 9.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -3049.495486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.495486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.495486 (E_RNA) where: Base-Base interactions energy: -2094.316 where: short stacking energy: -924.216 Base-Backbone interact. energy: -3.743 local terms energy: -951.436431 where: bonds (distance) C4'-P energy: -174.242 bonds (distance) P-C4' energy: -180.299 flat angles C4'-P-C4' energy: -207.795 flat angles P-C4'-P energy: -134.752 tors. eta vs tors. theta energy: -254.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -2872.701457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.701457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.701457 (E_RNA) where: Base-Base interactions energy: -1985.340 where: short stacking energy: -846.605 Base-Backbone interact. energy: -2.623 local terms energy: -884.739095 where: bonds (distance) C4'-P energy: -168.850 bonds (distance) P-C4' energy: -172.524 flat angles C4'-P-C4' energy: -194.919 flat angles P-C4'-P energy: -126.876 tors. eta vs tors. theta energy: -221.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -2748.111259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.111259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.111259 (E_RNA) where: Base-Base interactions energy: -1869.627 where: short stacking energy: -840.606 Base-Backbone interact. energy: -4.663 local terms energy: -873.820752 where: bonds (distance) C4'-P energy: -163.374 bonds (distance) P-C4' energy: -167.193 flat angles C4'-P-C4' energy: -186.423 flat angles P-C4'-P energy: -139.249 tors. eta vs tors. theta energy: -217.582 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: 10 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -2585.028134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.028134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.028134 (E_RNA) where: Base-Base interactions energy: -1761.740 where: short stacking energy: -762.820 Base-Backbone interact. energy: -4.516 local terms energy: -818.771384 where: bonds (distance) C4'-P energy: -165.669 bonds (distance) P-C4' energy: -166.595 flat angles C4'-P-C4' energy: -195.497 flat angles P-C4'-P energy: -108.578 tors. eta vs tors. theta energy: -182.432 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: 8 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -2382.761063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2382.761063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2382.761063 (E_RNA) where: Base-Base interactions energy: -1578.184 where: short stacking energy: -702.401 Base-Backbone interact. energy: -3.274 local terms energy: -801.302684 where: bonds (distance) C4'-P energy: -161.346 bonds (distance) P-C4' energy: -174.838 flat angles C4'-P-C4' energy: -173.911 flat angles P-C4'-P energy: -115.808 tors. eta vs tors. theta energy: -175.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -2134.751704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.751704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.751704 (E_RNA) where: Base-Base interactions energy: -1403.204 where: short stacking energy: -627.265 Base-Backbone interact. energy: 4.200 local terms energy: -735.747793 where: bonds (distance) C4'-P energy: -160.871 bonds (distance) P-C4' energy: -148.655 flat angles C4'-P-C4' energy: -160.541 flat angles P-C4'-P energy: -110.956 tors. eta vs tors. theta energy: -154.725 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: 7, replica: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1794.770753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.770753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.770753 (E_RNA) where: Base-Base interactions energy: -1141.768 where: short stacking energy: -544.094 Base-Backbone interact. energy: -2.414 local terms energy: -650.589005 where: bonds (distance) C4'-P energy: -146.466 bonds (distance) P-C4' energy: -157.790 flat angles C4'-P-C4' energy: -159.667 flat angles P-C4'-P energy: -93.115 tors. eta vs tors. theta energy: -93.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -1759.617309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.617309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.617309 (E_RNA) where: Base-Base interactions energy: -1078.498 where: short stacking energy: -504.620 Base-Backbone interact. energy: 0.151 local terms energy: -681.269512 where: bonds (distance) C4'-P energy: -137.227 bonds (distance) P-C4' energy: -176.875 flat angles C4'-P-C4' energy: -152.053 flat angles P-C4'-P energy: -102.668 tors. eta vs tors. theta energy: -112.446 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: 3 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -1049.771423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.771423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.771423 (E_RNA) where: Base-Base interactions energy: -529.650 where: short stacking energy: -310.052 Base-Backbone interact. energy: 10.921 local terms energy: -531.042866 where: bonds (distance) C4'-P energy: -178.314 bonds (distance) P-C4' energy: -139.798 flat angles C4'-P-C4' energy: -132.660 flat angles P-C4'-P energy: -74.095 tors. eta vs tors. theta energy: -6.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -911.079087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.079087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.079087 (E_RNA) where: Base-Base interactions energy: -429.553 where: short stacking energy: -264.281 Base-Backbone interact. energy: -2.740 local terms energy: -478.785771 where: bonds (distance) C4'-P energy: -152.639 bonds (distance) P-C4' energy: -157.637 flat angles C4'-P-C4' energy: -104.546 flat angles P-C4'-P energy: -86.205 tors. eta vs tors. theta energy: 22.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -3020.875830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.875830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.875830 (E_RNA) where: Base-Base interactions energy: -2042.422 where: short stacking energy: -905.106 Base-Backbone interact. energy: -2.734 local terms energy: -975.720320 where: bonds (distance) C4'-P energy: -178.829 bonds (distance) P-C4' energy: -188.117 flat angles C4'-P-C4' energy: -204.291 flat angles P-C4'-P energy: -144.561 tors. eta vs tors. theta energy: -259.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -2843.101191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.101191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.101191 (E_RNA) where: Base-Base interactions energy: -1959.159 where: short stacking energy: -837.965 Base-Backbone interact. energy: -0.145 local terms energy: -883.797095 where: bonds (distance) C4'-P energy: -166.681 bonds (distance) P-C4' energy: -178.758 flat angles C4'-P-C4' energy: -187.934 flat angles P-C4'-P energy: -121.553 tors. eta vs tors. theta energy: -228.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -2705.318495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.318495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.318495 (E_RNA) where: Base-Base interactions energy: -1839.968 where: short stacking energy: -795.212 Base-Backbone interact. energy: -4.323 local terms energy: -861.027435 where: bonds (distance) C4'-P energy: -164.363 bonds (distance) P-C4' energy: -182.270 flat angles C4'-P-C4' energy: -173.598 flat angles P-C4'-P energy: -124.047 tors. eta vs tors. theta energy: -216.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -2582.957593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.957593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.957593 (E_RNA) where: Base-Base interactions energy: -1741.420 where: short stacking energy: -748.831 Base-Backbone interact. energy: -1.374 local terms energy: -840.164157 where: bonds (distance) C4'-P energy: -174.074 bonds (distance) P-C4' energy: -163.989 flat angles C4'-P-C4' energy: -178.630 flat angles P-C4'-P energy: -121.162 tors. eta vs tors. theta energy: -202.309 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: 69 Temperature: 1.100000 Total energy: -2356.591768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2356.591768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2356.591768 (E_RNA) where: Base-Base interactions energy: -1587.785 where: short stacking energy: -697.207 Base-Backbone interact. energy: 2.457 local terms energy: -771.264257 where: bonds (distance) C4'-P energy: -157.520 bonds (distance) P-C4' energy: -158.754 flat angles C4'-P-C4' energy: -170.210 flat angles P-C4'-P energy: -107.269 tors. eta vs tors. theta energy: -177.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -2081.975478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2081.975478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2081.975478 (E_RNA) where: Base-Base interactions energy: -1334.221 where: short stacking energy: -619.826 Base-Backbone interact. energy: -3.785 local terms energy: -743.969066 where: bonds (distance) C4'-P energy: -165.259 bonds (distance) P-C4' energy: -174.496 flat angles C4'-P-C4' energy: -165.667 flat angles P-C4'-P energy: -101.668 tors. eta vs tors. theta energy: -136.879 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: 69 Temperature: 1.200000 Total energy: -1865.584090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.584090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.584090 (E_RNA) where: Base-Base interactions energy: -1203.404 where: short stacking energy: -513.451 Base-Backbone interact. energy: 3.143 local terms energy: -665.323186 where: bonds (distance) C4'-P energy: -148.189 bonds (distance) P-C4' energy: -146.433 flat angles C4'-P-C4' energy: -150.258 flat angles P-C4'-P energy: -100.626 tors. eta vs tors. theta energy: -119.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -1683.587347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.587347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.587347 (E_RNA) where: Base-Base interactions energy: -1057.029 where: short stacking energy: -511.909 Base-Backbone interact. energy: -1.292 local terms energy: -625.265830 where: bonds (distance) C4'-P energy: -146.357 bonds (distance) P-C4' energy: -153.271 flat angles C4'-P-C4' energy: -136.466 flat angles P-C4'-P energy: -92.285 tors. eta vs tors. theta energy: -96.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -1111.249692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.249692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.249692 (E_RNA) where: Base-Base interactions energy: -579.789 where: short stacking energy: -360.913 Base-Backbone interact. energy: 0.970 local terms energy: -532.429919 where: bonds (distance) C4'-P energy: -133.200 bonds (distance) P-C4' energy: -155.794 flat angles C4'-P-C4' energy: -126.986 flat angles P-C4'-P energy: -78.165 tors. eta vs tors. theta energy: -38.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -878.646764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.646764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.646764 (E_RNA) where: Base-Base interactions energy: -413.128 where: short stacking energy: -257.153 Base-Backbone interact. energy: -1.469 local terms energy: -464.050459 where: bonds (distance) C4'-P energy: -146.631 bonds (distance) P-C4' energy: -142.650 flat angles C4'-P-C4' energy: -141.588 flat angles P-C4'-P energy: -48.319 tors. eta vs tors. theta energy: 15.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -2984.503803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.503803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.503803 (E_RNA) where: Base-Base interactions energy: -2040.864 where: short stacking energy: -902.973 Base-Backbone interact. energy: -0.172 local terms energy: -943.467800 where: bonds (distance) C4'-P energy: -175.600 bonds (distance) P-C4' energy: -173.855 flat angles C4'-P-C4' energy: -199.007 flat angles P-C4'-P energy: -133.240 tors. eta vs tors. theta energy: -261.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -2828.435495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.435495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.435495 (E_RNA) where: Base-Base interactions energy: -1906.448 where: short stacking energy: -829.829 Base-Backbone interact. energy: -1.973 local terms energy: -920.014805 where: bonds (distance) C4'-P energy: -176.203 bonds (distance) P-C4' energy: -186.724 flat angles C4'-P-C4' energy: -205.794 flat angles P-C4'-P energy: -127.141 tors. eta vs tors. theta energy: -224.153 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: 3, replica: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -2771.283748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.283748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.283748 (E_RNA) where: Base-Base interactions energy: -1923.843 where: short stacking energy: -857.193 Base-Backbone interact. energy: -0.416 local terms energy: -847.024048 where: bonds (distance) C4'-P energy: -167.305 bonds (distance) P-C4' energy: -161.381 flat angles C4'-P-C4' energy: -179.101 flat angles P-C4'-P energy: -127.618 tors. eta vs tors. theta energy: -211.620 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: 10 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -2556.523914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.523914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.523914 (E_RNA) where: Base-Base interactions energy: -1740.033 where: short stacking energy: -744.316 Base-Backbone interact. energy: -3.885 local terms energy: -812.606193 where: bonds (distance) C4'-P energy: -161.964 bonds (distance) P-C4' energy: -176.729 flat angles C4'-P-C4' energy: -195.339 flat angles P-C4'-P energy: -96.593 tors. eta vs tors. theta energy: -181.981 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: 70 Temperature: 1.100000 Total energy: -2332.737316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.737316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.737316 (E_RNA) where: Base-Base interactions energy: -1539.841 where: short stacking energy: -684.360 Base-Backbone interact. energy: -2.677 local terms energy: -790.219931 where: bonds (distance) C4'-P energy: -161.362 bonds (distance) P-C4' energy: -160.284 flat angles C4'-P-C4' energy: -180.207 flat angles P-C4'-P energy: -114.681 tors. eta vs tors. theta energy: -173.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -2103.249353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.249353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.249353 (E_RNA) where: Base-Base interactions energy: -1375.330 where: short stacking energy: -637.723 Base-Backbone interact. energy: -2.242 local terms energy: -725.677348 where: bonds (distance) C4'-P energy: -149.861 bonds (distance) P-C4' energy: -161.549 flat angles C4'-P-C4' energy: -170.200 flat angles P-C4'-P energy: -88.184 tors. eta vs tors. theta energy: -155.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1909.280240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.280240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.280240 (E_RNA) where: Base-Base interactions energy: -1213.680 where: short stacking energy: -557.771 Base-Backbone interact. energy: 11.616 local terms energy: -707.216164 where: bonds (distance) C4'-P energy: -144.135 bonds (distance) P-C4' energy: -164.241 flat angles C4'-P-C4' energy: -181.977 flat angles P-C4'-P energy: -97.673 tors. eta vs tors. theta energy: -119.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -1685.922832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.922832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.922832 (E_RNA) where: Base-Base interactions energy: -1078.260 where: short stacking energy: -506.529 Base-Backbone interact. energy: 0.970 local terms energy: -608.633006 where: bonds (distance) C4'-P energy: -156.865 bonds (distance) P-C4' energy: -140.794 flat angles C4'-P-C4' energy: -151.072 flat angles P-C4'-P energy: -60.048 tors. eta vs tors. theta energy: -99.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -1119.542536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.542536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.542536 (E_RNA) where: Base-Base interactions energy: -579.355 where: short stacking energy: -357.929 Base-Backbone interact. energy: 1.008 local terms energy: -541.194702 where: bonds (distance) C4'-P energy: -143.669 bonds (distance) P-C4' energy: -152.593 flat angles C4'-P-C4' energy: -121.425 flat angles P-C4'-P energy: -75.024 tors. eta vs tors. theta energy: -48.484 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: 5 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -844.199630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.199630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.199630 (E_RNA) where: Base-Base interactions energy: -387.078 where: short stacking energy: -240.828 Base-Backbone interact. energy: -1.683 local terms energy: -455.439141 where: bonds (distance) C4'-P energy: -134.397 bonds (distance) P-C4' energy: -142.081 flat angles C4'-P-C4' energy: -121.149 flat angles P-C4'-P energy: -70.950 tors. eta vs tors. theta energy: 13.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -3020.437996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.437996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.437996 (E_RNA) where: Base-Base interactions energy: -2056.655 where: short stacking energy: -913.663 Base-Backbone interact. energy: 0.457 local terms energy: -964.239661 where: bonds (distance) C4'-P energy: -175.012 bonds (distance) P-C4' energy: -185.936 flat angles C4'-P-C4' energy: -212.528 flat angles P-C4'-P energy: -130.278 tors. eta vs tors. theta energy: -260.485 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: 2, replica: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -2853.883456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.883456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.883456 (E_RNA) where: Base-Base interactions energy: -1961.658 where: short stacking energy: -838.594 Base-Backbone interact. energy: 1.507 local terms energy: -893.732708 where: bonds (distance) C4'-P energy: -176.256 bonds (distance) P-C4' energy: -186.352 flat angles C4'-P-C4' energy: -195.794 flat angles P-C4'-P energy: -114.238 tors. eta vs tors. theta energy: -221.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -2747.486105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.486105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.486105 (E_RNA) where: Base-Base interactions energy: -1891.815 where: short stacking energy: -814.556 Base-Backbone interact. energy: 1.173 local terms energy: -856.844265 where: bonds (distance) C4'-P energy: -171.938 bonds (distance) P-C4' energy: -159.182 flat angles C4'-P-C4' energy: -186.896 flat angles P-C4'-P energy: -131.316 tors. eta vs tors. theta energy: -207.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -2491.716991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.716991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.716991 (E_RNA) where: Base-Base interactions energy: -1718.894 where: short stacking energy: -729.842 Base-Backbone interact. energy: -3.785 local terms energy: -769.037814 where: bonds (distance) C4'-P energy: -143.253 bonds (distance) P-C4' energy: -158.559 flat angles C4'-P-C4' energy: -177.050 flat angles P-C4'-P energy: -114.395 tors. eta vs tors. theta energy: -175.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -2342.475607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.475607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.475607 (E_RNA) where: Base-Base interactions energy: -1571.402 where: short stacking energy: -709.101 Base-Backbone interact. energy: -4.645 local terms energy: -766.428542 where: bonds (distance) C4'-P energy: -144.874 bonds (distance) P-C4' energy: -170.273 flat angles C4'-P-C4' energy: -151.919 flat angles P-C4'-P energy: -115.840 tors. eta vs tors. theta energy: -183.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -2147.411169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2147.411169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2147.411169 (E_RNA) where: Base-Base interactions energy: -1439.630 where: short stacking energy: -639.212 Base-Backbone interact. energy: 3.186 local terms energy: -710.966342 where: bonds (distance) C4'-P energy: -139.886 bonds (distance) P-C4' energy: -156.870 flat angles C4'-P-C4' energy: -181.055 flat angles P-C4'-P energy: -85.136 tors. eta vs tors. theta energy: -148.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1915.213239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1915.213239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1915.213239 (E_RNA) where: Base-Base interactions energy: -1244.185 where: short stacking energy: -572.114 Base-Backbone interact. energy: -1.117 local terms energy: -669.911011 where: bonds (distance) C4'-P energy: -156.695 bonds (distance) P-C4' energy: -166.537 flat angles C4'-P-C4' energy: -152.549 flat angles P-C4'-P energy: -84.370 tors. eta vs tors. theta energy: -109.761 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: 1 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -1816.999444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.999444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.999444 (E_RNA) where: Base-Base interactions energy: -1151.876 where: short stacking energy: -535.166 Base-Backbone interact. energy: 0.870 local terms energy: -665.993530 where: bonds (distance) C4'-P energy: -138.493 bonds (distance) P-C4' energy: -160.298 flat angles C4'-P-C4' energy: -157.946 flat angles P-C4'-P energy: -99.313 tors. eta vs tors. theta energy: -109.943 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: 3 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -1086.793647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.793647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.793647 (E_RNA) where: Base-Base interactions energy: -534.565 where: short stacking energy: -332.220 Base-Backbone interact. energy: -1.750 local terms energy: -550.478348 where: bonds (distance) C4'-P energy: -130.113 bonds (distance) P-C4' energy: -173.677 flat angles C4'-P-C4' energy: -118.013 flat angles P-C4'-P energy: -89.797 tors. eta vs tors. theta energy: -38.878 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: 5 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -882.616976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.616976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.616976 (E_RNA) where: Base-Base interactions energy: -413.181 where: short stacking energy: -251.045 Base-Backbone interact. energy: 0.475 local terms energy: -469.910201 where: bonds (distance) C4'-P energy: -135.405 bonds (distance) P-C4' energy: -139.618 flat angles C4'-P-C4' energy: -122.012 flat angles P-C4'-P energy: -72.851 tors. eta vs tors. theta energy: -0.023 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: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -3018.016214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.016214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.016214 (E_RNA) where: Base-Base interactions energy: -2074.340 where: short stacking energy: -943.786 Base-Backbone interact. energy: -2.937 local terms energy: -940.739445 where: bonds (distance) C4'-P energy: -170.295 bonds (distance) P-C4' energy: -184.150 flat angles C4'-P-C4' energy: -191.091 flat angles P-C4'-P energy: -127.361 tors. eta vs tors. theta energy: -267.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -2836.950065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.950065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.950065 (E_RNA) where: Base-Base interactions energy: -1897.593 where: short stacking energy: -827.100 Base-Backbone interact. energy: -1.923 local terms energy: -937.434372 where: bonds (distance) C4'-P energy: -171.844 bonds (distance) P-C4' energy: -185.044 flat angles C4'-P-C4' energy: -211.285 flat angles P-C4'-P energy: -145.585 tors. eta vs tors. theta energy: -223.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -2699.331937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.331937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.331937 (E_RNA) where: Base-Base interactions energy: -1825.512 where: short stacking energy: -782.703 Base-Backbone interact. energy: -4.325 local terms energy: -869.494563 where: bonds (distance) C4'-P energy: -160.169 bonds (distance) P-C4' energy: -172.931 flat angles C4'-P-C4' energy: -192.037 flat angles P-C4'-P energy: -137.177 tors. eta vs tors. theta energy: -207.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -2545.899657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.899657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.899657 (E_RNA) where: Base-Base interactions energy: -1726.199 where: short stacking energy: -755.912 Base-Backbone interact. energy: -3.145 local terms energy: -816.555534 where: bonds (distance) C4'-P energy: -163.253 bonds (distance) P-C4' energy: -170.035 flat angles C4'-P-C4' energy: -164.890 flat angles P-C4'-P energy: -111.297 tors. eta vs tors. theta energy: -207.081 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: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -2281.044393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.044393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.044393 (E_RNA) where: Base-Base interactions energy: -1519.366 where: short stacking energy: -628.994 Base-Backbone interact. energy: 0.157 local terms energy: -761.835008 where: bonds (distance) C4'-P energy: -166.061 bonds (distance) P-C4' energy: -170.714 flat angles C4'-P-C4' energy: -159.320 flat angles P-C4'-P energy: -112.946 tors. eta vs tors. theta energy: -152.795 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: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -2159.123161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2159.123161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2159.123161 (E_RNA) where: Base-Base interactions energy: -1418.611 where: short stacking energy: -652.396 Base-Backbone interact. energy: -1.463 local terms energy: -739.049172 where: bonds (distance) C4'-P energy: -160.775 bonds (distance) P-C4' energy: -147.506 flat angles C4'-P-C4' energy: -183.373 flat angles P-C4'-P energy: -87.284 tors. eta vs tors. theta energy: -160.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1907.896043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.896043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.896043 (E_RNA) where: Base-Base interactions energy: -1224.573 where: short stacking energy: -569.818 Base-Backbone interact. energy: 1.435 local terms energy: -684.757603 where: bonds (distance) C4'-P energy: -173.949 bonds (distance) P-C4' energy: -149.019 flat angles C4'-P-C4' energy: -134.423 flat angles P-C4'-P energy: -95.838 tors. eta vs tors. theta energy: -131.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -1793.419507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.419507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.419507 (E_RNA) where: Base-Base interactions energy: -1137.726 where: short stacking energy: -488.260 Base-Backbone interact. energy: -2.790 local terms energy: -652.903668 where: bonds (distance) C4'-P energy: -151.705 bonds (distance) P-C4' energy: -156.883 flat angles C4'-P-C4' energy: -155.170 flat angles P-C4'-P energy: -85.661 tors. eta vs tors. theta energy: -103.484 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: 3 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -1072.245618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.245618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.245618 (E_RNA) where: Base-Base interactions energy: -544.283 where: short stacking energy: -320.457 Base-Backbone interact. energy: -0.715 local terms energy: -527.246791 where: bonds (distance) C4'-P energy: -117.085 bonds (distance) P-C4' energy: -157.487 flat angles C4'-P-C4' energy: -146.067 flat angles P-C4'-P energy: -88.770 tors. eta vs tors. theta energy: -17.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -889.499261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.499261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.499261 (E_RNA) where: Base-Base interactions energy: -408.903 where: short stacking energy: -253.787 Base-Backbone interact. energy: -3.555 local terms energy: -477.041441 where: bonds (distance) C4'-P energy: -148.323 bonds (distance) P-C4' energy: -145.157 flat angles C4'-P-C4' energy: -120.995 flat angles P-C4'-P energy: -75.841 tors. eta vs tors. theta energy: 13.275 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: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -3030.555448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.555448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.555448 (E_RNA) where: Base-Base interactions energy: -2048.277 where: short stacking energy: -932.461 Base-Backbone interact. energy: -3.013 local terms energy: -979.264923 where: bonds (distance) C4'-P energy: -175.523 bonds (distance) P-C4' energy: -172.461 flat angles C4'-P-C4' energy: -212.841 flat angles P-C4'-P energy: -149.709 tors. eta vs tors. theta energy: -268.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -2851.221627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.221627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.221627 (E_RNA) where: Base-Base interactions energy: -1946.472 where: short stacking energy: -844.558 Base-Backbone interact. energy: -6.186 local terms energy: -898.563121 where: bonds (distance) C4'-P energy: -175.871 bonds (distance) P-C4' energy: -168.669 flat angles C4'-P-C4' energy: -193.469 flat angles P-C4'-P energy: -132.951 tors. eta vs tors. theta energy: -227.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -2723.359232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.359232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.359232 (E_RNA) where: Base-Base interactions energy: -1861.627 where: short stacking energy: -839.200 Base-Backbone interact. energy: -0.233 local terms energy: -861.499294 where: bonds (distance) C4'-P energy: -162.596 bonds (distance) P-C4' energy: -167.078 flat angles C4'-P-C4' energy: -179.715 flat angles P-C4'-P energy: -123.720 tors. eta vs tors. theta energy: -228.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -2528.426456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.426456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.426456 (E_RNA) where: Base-Base interactions energy: -1705.432 where: short stacking energy: -741.785 Base-Backbone interact. energy: -5.473 local terms energy: -817.521607 where: bonds (distance) C4'-P energy: -160.750 bonds (distance) P-C4' energy: -181.169 flat angles C4'-P-C4' energy: -180.722 flat angles P-C4'-P energy: -106.649 tors. eta vs tors. theta energy: -188.231 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: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -2305.302476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.302476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.302476 (E_RNA) where: Base-Base interactions energy: -1541.616 where: short stacking energy: -702.711 Base-Backbone interact. energy: 0.127 local terms energy: -763.813107 where: bonds (distance) C4'-P energy: -149.916 bonds (distance) P-C4' energy: -158.762 flat angles C4'-P-C4' energy: -182.178 flat angles P-C4'-P energy: -105.600 tors. eta vs tors. theta energy: -167.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -2190.047889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.047889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.047889 (E_RNA) where: Base-Base interactions energy: -1466.694 where: short stacking energy: -633.122 Base-Backbone interact. energy: -3.588 local terms energy: -719.766171 where: bonds (distance) C4'-P energy: -134.220 bonds (distance) P-C4' energy: -169.118 flat angles C4'-P-C4' energy: -163.775 flat angles P-C4'-P energy: -96.757 tors. eta vs tors. theta energy: -155.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1893.454324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.454324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.454324 (E_RNA) where: Base-Base interactions energy: -1214.339 where: short stacking energy: -574.329 Base-Backbone interact. energy: 0.203 local terms energy: -679.319011 where: bonds (distance) C4'-P energy: -161.778 bonds (distance) P-C4' energy: -158.169 flat angles C4'-P-C4' energy: -152.208 flat angles P-C4'-P energy: -97.682 tors. eta vs tors. theta energy: -109.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -1792.069808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.069808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.069808 (E_RNA) where: Base-Base interactions energy: -1150.839 where: short stacking energy: -528.750 Base-Backbone interact. energy: 6.403 local terms energy: -647.634073 where: bonds (distance) C4'-P energy: -161.012 bonds (distance) P-C4' energy: -151.750 flat angles C4'-P-C4' energy: -156.684 flat angles P-C4'-P energy: -84.705 tors. eta vs tors. theta energy: -93.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -1047.583053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.583053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.583053 (E_RNA) where: Base-Base interactions energy: -566.947 where: short stacking energy: -371.272 Base-Backbone interact. energy: 2.111 local terms energy: -482.747676 where: bonds (distance) C4'-P energy: -138.195 bonds (distance) P-C4' energy: -132.546 flat angles C4'-P-C4' energy: -107.979 flat angles P-C4'-P energy: -73.420 tors. eta vs tors. theta energy: -30.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -844.777585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.777585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.777585 (E_RNA) where: Base-Base interactions energy: -396.751 where: short stacking energy: -254.192 Base-Backbone interact. energy: 1.038 local terms energy: -449.064902 where: bonds (distance) C4'-P energy: -154.519 bonds (distance) P-C4' energy: -143.791 flat angles C4'-P-C4' energy: -115.093 flat angles P-C4'-P energy: -53.361 tors. eta vs tors. theta energy: 17.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -3025.248377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.248377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.248377 (E_RNA) where: Base-Base interactions energy: -2066.810 where: short stacking energy: -911.153 Base-Backbone interact. energy: -3.836 local terms energy: -954.602828 where: bonds (distance) C4'-P energy: -184.556 bonds (distance) P-C4' energy: -168.682 flat angles C4'-P-C4' energy: -198.032 flat angles P-C4'-P energy: -133.142 tors. eta vs tors. theta energy: -270.191 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: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -2838.901681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.901681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.901681 (E_RNA) where: Base-Base interactions energy: -1948.092 where: short stacking energy: -866.849 Base-Backbone interact. energy: 0.521 local terms energy: -891.330656 where: bonds (distance) C4'-P energy: -160.932 bonds (distance) P-C4' energy: -183.570 flat angles C4'-P-C4' energy: -194.936 flat angles P-C4'-P energy: -125.230 tors. eta vs tors. theta energy: -226.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -2683.244639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.244639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.244639 (E_RNA) where: Base-Base interactions energy: -1827.521 where: short stacking energy: -814.913 Base-Backbone interact. energy: -2.042 local terms energy: -853.680855 where: bonds (distance) C4'-P energy: -158.754 bonds (distance) P-C4' energy: -161.135 flat angles C4'-P-C4' energy: -199.568 flat angles P-C4'-P energy: -121.907 tors. eta vs tors. theta energy: -212.316 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: 10 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -2540.735840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.735840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.735840 (E_RNA) where: Base-Base interactions energy: -1694.232 where: short stacking energy: -747.110 Base-Backbone interact. energy: -3.173 local terms energy: -843.331202 where: bonds (distance) C4'-P energy: -169.843 bonds (distance) P-C4' energy: -167.504 flat angles C4'-P-C4' energy: -195.963 flat angles P-C4'-P energy: -110.272 tors. eta vs tors. theta energy: -199.749 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: 8 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -2297.443761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2297.443761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2297.443761 (E_RNA) where: Base-Base interactions energy: -1562.098 where: short stacking energy: -729.130 Base-Backbone interact. energy: 0.401 local terms energy: -735.745803 where: bonds (distance) C4'-P energy: -127.711 bonds (distance) P-C4' energy: -158.315 flat angles C4'-P-C4' energy: -164.817 flat angles P-C4'-P energy: -113.595 tors. eta vs tors. theta energy: -171.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -2246.300680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.300680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.300680 (E_RNA) where: Base-Base interactions energy: -1520.687 where: short stacking energy: -694.826 Base-Backbone interact. energy: -2.317 local terms energy: -723.296485 where: bonds (distance) C4'-P energy: -146.422 bonds (distance) P-C4' energy: -158.983 flat angles C4'-P-C4' energy: -151.578 flat angles P-C4'-P energy: -96.675 tors. eta vs tors. theta energy: -169.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1874.071085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.071085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.071085 (E_RNA) where: Base-Base interactions energy: -1200.344 where: short stacking energy: -564.689 Base-Backbone interact. energy: 0.471 local terms energy: -674.198430 where: bonds (distance) C4'-P energy: -152.067 bonds (distance) P-C4' energy: -171.770 flat angles C4'-P-C4' energy: -147.591 flat angles P-C4'-P energy: -87.586 tors. eta vs tors. theta energy: -115.185 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: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -1765.658575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.658575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.658575 (E_RNA) where: Base-Base interactions energy: -1152.153 where: short stacking energy: -501.594 Base-Backbone interact. energy: 0.214 local terms energy: -613.719727 where: bonds (distance) C4'-P energy: -114.923 bonds (distance) P-C4' energy: -162.648 flat angles C4'-P-C4' energy: -139.961 flat angles P-C4'-P energy: -90.401 tors. eta vs tors. theta energy: -105.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -1078.460913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.460913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.460913 (E_RNA) where: Base-Base interactions energy: -570.960 where: short stacking energy: -348.372 Base-Backbone interact. energy: -0.120 local terms energy: -507.380983 where: bonds (distance) C4'-P energy: -141.926 bonds (distance) P-C4' energy: -130.833 flat angles C4'-P-C4' energy: -139.679 flat angles P-C4'-P energy: -66.069 tors. eta vs tors. theta energy: -28.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -888.331048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.331048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.331048 (E_RNA) where: Base-Base interactions energy: -456.820 where: short stacking energy: -289.451 Base-Backbone interact. energy: -4.340 local terms energy: -427.170954 where: bonds (distance) C4'-P energy: -128.715 bonds (distance) P-C4' energy: -130.413 flat angles C4'-P-C4' energy: -137.419 flat angles P-C4'-P energy: -46.722 tors. eta vs tors. theta energy: 16.097 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: 7 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -3046.762982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.762982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.762982 (E_RNA) where: Base-Base interactions energy: -2105.185 where: short stacking energy: -907.580 Base-Backbone interact. energy: -3.144 local terms energy: -938.433339 where: bonds (distance) C4'-P energy: -169.658 bonds (distance) P-C4' energy: -172.400 flat angles C4'-P-C4' energy: -205.318 flat angles P-C4'-P energy: -134.119 tors. eta vs tors. theta energy: -256.940 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: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -2804.801503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.801503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.801503 (E_RNA) where: Base-Base interactions energy: -1941.500 where: short stacking energy: -835.329 Base-Backbone interact. energy: 5.980 local terms energy: -869.281020 where: bonds (distance) C4'-P energy: -166.631 bonds (distance) P-C4' energy: -168.424 flat angles C4'-P-C4' energy: -185.237 flat angles P-C4'-P energy: -125.820 tors. eta vs tors. theta energy: -223.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -2663.538859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.538859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.538859 (E_RNA) where: Base-Base interactions energy: -1797.945 where: short stacking energy: -801.249 Base-Backbone interact. energy: -3.216 local terms energy: -862.377720 where: bonds (distance) C4'-P energy: -166.464 bonds (distance) P-C4' energy: -171.023 flat angles C4'-P-C4' energy: -203.508 flat angles P-C4'-P energy: -112.873 tors. eta vs tors. theta energy: -208.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -2617.546242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.546242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.546242 (E_RNA) where: Base-Base interactions energy: -1792.135 where: short stacking energy: -790.699 Base-Backbone interact. energy: 0.635 local terms energy: -826.046157 where: bonds (distance) C4'-P energy: -156.543 bonds (distance) P-C4' energy: -149.350 flat angles C4'-P-C4' energy: -177.357 flat angles P-C4'-P energy: -133.182 tors. eta vs tors. theta energy: -209.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -2316.943708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.943708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.943708 (E_RNA) where: Base-Base interactions energy: -1546.937 where: short stacking energy: -693.158 Base-Backbone interact. energy: -4.183 local terms energy: -765.823907 where: bonds (distance) C4'-P energy: -138.524 bonds (distance) P-C4' energy: -170.746 flat angles C4'-P-C4' energy: -171.105 flat angles P-C4'-P energy: -116.870 tors. eta vs tors. theta energy: -168.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -2190.150495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.150495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.150495 (E_RNA) where: Base-Base interactions energy: -1466.212 where: short stacking energy: -672.974 Base-Backbone interact. energy: -3.131 local terms energy: -720.807390 where: bonds (distance) C4'-P energy: -145.258 bonds (distance) P-C4' energy: -153.969 flat angles C4'-P-C4' energy: -154.203 flat angles P-C4'-P energy: -106.567 tors. eta vs tors. theta energy: -160.811 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: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1849.513138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.513138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.513138 (E_RNA) where: Base-Base interactions energy: -1201.697 where: short stacking energy: -562.666 Base-Backbone interact. energy: 1.428 local terms energy: -649.244559 where: bonds (distance) C4'-P energy: -165.221 bonds (distance) P-C4' energy: -141.429 flat angles C4'-P-C4' energy: -145.871 flat angles P-C4'-P energy: -71.382 tors. eta vs tors. theta energy: -125.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -1772.119988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.119988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.119988 (E_RNA) where: Base-Base interactions energy: -1122.269 where: short stacking energy: -503.837 Base-Backbone interact. energy: -2.953 local terms energy: -646.897288 where: bonds (distance) C4'-P energy: -142.002 bonds (distance) P-C4' energy: -162.228 flat angles C4'-P-C4' energy: -153.702 flat angles P-C4'-P energy: -101.703 tors. eta vs tors. theta energy: -87.262 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: 3 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -1033.288024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.288024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.288024 (E_RNA) where: Base-Base interactions energy: -532.386 where: short stacking energy: -293.609 Base-Backbone interact. energy: 2.244 local terms energy: -503.146871 where: bonds (distance) C4'-P energy: -154.517 bonds (distance) P-C4' energy: -151.500 flat angles C4'-P-C4' energy: -126.979 flat angles P-C4'-P energy: -89.914 tors. eta vs tors. theta energy: 19.763 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: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -894.540268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.540268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.540268 (E_RNA) where: Base-Base interactions energy: -434.349 where: short stacking energy: -283.794 Base-Backbone interact. energy: 2.984 local terms energy: -463.175588 where: bonds (distance) C4'-P energy: -126.859 bonds (distance) P-C4' energy: -137.109 flat angles C4'-P-C4' energy: -130.490 flat angles P-C4'-P energy: -68.834 tors. eta vs tors. theta energy: 0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -3031.947856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.947856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.947856 (E_RNA) where: Base-Base interactions energy: -2076.634 where: short stacking energy: -881.896 Base-Backbone interact. energy: -2.150 local terms energy: -953.163677 where: bonds (distance) C4'-P energy: -171.332 bonds (distance) P-C4' energy: -182.432 flat angles C4'-P-C4' energy: -208.052 flat angles P-C4'-P energy: -134.351 tors. eta vs tors. theta energy: -256.997 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: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -2806.404204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.404204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.404204 (E_RNA) where: Base-Base interactions energy: -1896.482 where: short stacking energy: -833.454 Base-Backbone interact. energy: -3.095 local terms energy: -906.826765 where: bonds (distance) C4'-P energy: -174.551 bonds (distance) P-C4' energy: -188.655 flat angles C4'-P-C4' energy: -194.080 flat angles P-C4'-P energy: -131.090 tors. eta vs tors. theta energy: -218.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -2712.837977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.837977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.837977 (E_RNA) where: Base-Base interactions energy: -1826.359 where: short stacking energy: -811.460 Base-Backbone interact. energy: -6.516 local terms energy: -879.962571 where: bonds (distance) C4'-P energy: -161.569 bonds (distance) P-C4' energy: -176.571 flat angles C4'-P-C4' energy: -200.642 flat angles P-C4'-P energy: -122.256 tors. eta vs tors. theta energy: -218.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -2542.307560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.307560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.307560 (E_RNA) where: Base-Base interactions energy: -1714.092 where: short stacking energy: -749.608 Base-Backbone interact. energy: -0.881 local terms energy: -827.334031 where: bonds (distance) C4'-P energy: -142.666 bonds (distance) P-C4' energy: -159.374 flat angles C4'-P-C4' energy: -187.850 flat angles P-C4'-P energy: -128.082 tors. eta vs tors. theta energy: -209.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -2312.345476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.345476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.345476 (E_RNA) where: Base-Base interactions energy: -1535.548 where: short stacking energy: -677.979 Base-Backbone interact. energy: -1.077 local terms energy: -775.720136 where: bonds (distance) C4'-P energy: -172.618 bonds (distance) P-C4' energy: -175.117 flat angles C4'-P-C4' energy: -171.728 flat angles P-C4'-P energy: -105.104 tors. eta vs tors. theta energy: -151.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -2235.795104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.795104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.795104 (E_RNA) where: Base-Base interactions energy: -1463.732 where: short stacking energy: -650.207 Base-Backbone interact. energy: -2.413 local terms energy: -769.650382 where: bonds (distance) C4'-P energy: -162.371 bonds (distance) P-C4' energy: -152.638 flat angles C4'-P-C4' energy: -180.949 flat angles P-C4'-P energy: -111.887 tors. eta vs tors. theta energy: -161.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1883.517835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.517835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.517835 (E_RNA) where: Base-Base interactions energy: -1208.457 where: short stacking energy: -574.836 Base-Backbone interact. energy: -3.271 local terms energy: -671.789897 where: bonds (distance) C4'-P energy: -148.806 bonds (distance) P-C4' energy: -135.933 flat angles C4'-P-C4' energy: -155.164 flat angles P-C4'-P energy: -100.329 tors. eta vs tors. theta energy: -131.559 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: 9 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -1761.268247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.268247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.268247 (E_RNA) where: Base-Base interactions energy: -1160.401 where: short stacking energy: -510.427 Base-Backbone interact. energy: -3.556 local terms energy: -597.311710 where: bonds (distance) C4'-P energy: -136.960 bonds (distance) P-C4' energy: -149.831 flat angles C4'-P-C4' energy: -137.110 flat angles P-C4'-P energy: -81.781 tors. eta vs tors. theta energy: -91.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -1035.125533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.125533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.125533 (E_RNA) where: Base-Base interactions energy: -551.309 where: short stacking energy: -320.428 Base-Backbone interact. energy: 4.876 local terms energy: -488.692875 where: bonds (distance) C4'-P energy: -138.511 bonds (distance) P-C4' energy: -142.309 flat angles C4'-P-C4' energy: -136.422 flat angles P-C4'-P energy: -51.648 tors. eta vs tors. theta energy: -19.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -938.091388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.091388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.091388 (E_RNA) where: Base-Base interactions energy: -459.869 where: short stacking energy: -267.175 Base-Backbone interact. energy: -2.316 local terms energy: -475.906069 where: bonds (distance) C4'-P energy: -136.203 bonds (distance) P-C4' energy: -138.481 flat angles C4'-P-C4' energy: -124.087 flat angles P-C4'-P energy: -73.467 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -3035.545482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.545482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.545482 (E_RNA) where: Base-Base interactions energy: -2109.671 where: short stacking energy: -915.146 Base-Backbone interact. energy: 4.743 local terms energy: -930.618074 where: bonds (distance) C4'-P energy: -173.501 bonds (distance) P-C4' energy: -172.954 flat angles C4'-P-C4' energy: -211.481 flat angles P-C4'-P energy: -125.395 tors. eta vs tors. theta energy: -247.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -2795.208052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2795.208052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2795.208052 (E_RNA) where: Base-Base interactions energy: -1879.418 where: short stacking energy: -821.042 Base-Backbone interact. energy: -2.171 local terms energy: -913.619029 where: bonds (distance) C4'-P energy: -163.001 bonds (distance) P-C4' energy: -185.379 flat angles C4'-P-C4' energy: -199.695 flat angles P-C4'-P energy: -135.216 tors. eta vs tors. theta energy: -230.327 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: 2 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -2671.556074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.556074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.556074 (E_RNA) where: Base-Base interactions energy: -1834.169 where: short stacking energy: -818.980 Base-Backbone interact. energy: 2.915 local terms energy: -840.302376 where: bonds (distance) C4'-P energy: -165.188 bonds (distance) P-C4' energy: -159.158 flat angles C4'-P-C4' energy: -170.613 flat angles P-C4'-P energy: -125.183 tors. eta vs tors. theta energy: -220.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -2620.478950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.478950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.478950 (E_RNA) where: Base-Base interactions energy: -1774.185 where: short stacking energy: -786.800 Base-Backbone interact. energy: -3.271 local terms energy: -843.023468 where: bonds (distance) C4'-P energy: -158.383 bonds (distance) P-C4' energy: -160.264 flat angles C4'-P-C4' energy: -187.386 flat angles P-C4'-P energy: -117.721 tors. eta vs tors. theta energy: -219.269 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: 8 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -2354.317812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.317812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.317812 (E_RNA) where: Base-Base interactions energy: -1581.738 where: short stacking energy: -692.050 Base-Backbone interact. energy: 3.562 local terms energy: -776.142595 where: bonds (distance) C4'-P energy: -177.066 bonds (distance) P-C4' energy: -154.411 flat angles C4'-P-C4' energy: -163.927 flat angles P-C4'-P energy: -111.730 tors. eta vs tors. theta energy: -169.008 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: 6, replica: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -2304.434843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2304.434843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2304.434843 (E_RNA) where: Base-Base interactions energy: -1555.399 where: short stacking energy: -690.647 Base-Backbone interact. energy: -0.966 local terms energy: -748.070555 where: bonds (distance) C4'-P energy: -157.383 bonds (distance) P-C4' energy: -162.542 flat angles C4'-P-C4' energy: -169.968 flat angles P-C4'-P energy: -85.736 tors. eta vs tors. theta energy: -172.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1824.970766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.970766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.970766 (E_RNA) where: Base-Base interactions energy: -1162.516 where: short stacking energy: -536.955 Base-Backbone interact. energy: 7.936 local terms energy: -670.391187 where: bonds (distance) C4'-P energy: -152.512 bonds (distance) P-C4' energy: -161.656 flat angles C4'-P-C4' energy: -154.720 flat angles P-C4'-P energy: -83.753 tors. eta vs tors. theta energy: -117.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -1675.659147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.659147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.659147 (E_RNA) where: Base-Base interactions energy: -1079.177 where: short stacking energy: -483.339 Base-Backbone interact. energy: 4.324 local terms energy: -600.806141 where: bonds (distance) C4'-P energy: -152.086 bonds (distance) P-C4' energy: -143.271 flat angles C4'-P-C4' energy: -135.227 flat angles P-C4'-P energy: -95.013 tors. eta vs tors. theta energy: -75.209 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: 3 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -1091.845706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.845706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.845706 (E_RNA) where: Base-Base interactions energy: -554.540 where: short stacking energy: -319.795 Base-Backbone interact. energy: 1.122 local terms energy: -538.427082 where: bonds (distance) C4'-P energy: -134.324 bonds (distance) P-C4' energy: -168.317 flat angles C4'-P-C4' energy: -137.159 flat angles P-C4'-P energy: -74.590 tors. eta vs tors. theta energy: -24.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -1036.995358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.995358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.995358 (E_RNA) where: Base-Base interactions energy: -561.209 where: short stacking energy: -283.698 Base-Backbone interact. energy: -1.198 local terms energy: -474.587789 where: bonds (distance) C4'-P energy: -144.433 bonds (distance) P-C4' energy: -139.194 flat angles C4'-P-C4' energy: -108.972 flat angles P-C4'-P energy: -72.306 tors. eta vs tors. theta energy: -9.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -3086.728193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.728193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.728193 (E_RNA) where: Base-Base interactions energy: -2128.120 where: short stacking energy: -894.010 Base-Backbone interact. energy: 2.108 local terms energy: -960.716392 where: bonds (distance) C4'-P energy: -180.336 bonds (distance) P-C4' energy: -181.180 flat angles C4'-P-C4' energy: -206.959 flat angles P-C4'-P energy: -142.417 tors. eta vs tors. theta energy: -249.825 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: 4 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -2771.744751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.744751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.744751 (E_RNA) where: Base-Base interactions energy: -1861.364 where: short stacking energy: -814.011 Base-Backbone interact. energy: 5.546 local terms energy: -915.927192 where: bonds (distance) C4'-P energy: -179.171 bonds (distance) P-C4' energy: -170.794 flat angles C4'-P-C4' energy: -204.500 flat angles P-C4'-P energy: -135.870 tors. eta vs tors. theta energy: -225.593 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: 2 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -2718.421105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2718.421105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2718.421105 (E_RNA) where: Base-Base interactions energy: -1856.720 where: short stacking energy: -852.444 Base-Backbone interact. energy: -2.463 local terms energy: -859.237311 where: bonds (distance) C4'-P energy: -163.436 bonds (distance) P-C4' energy: -163.273 flat angles C4'-P-C4' energy: -192.909 flat angles P-C4'-P energy: -110.984 tors. eta vs tors. theta energy: -228.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -2621.882484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.882484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.882484 (E_RNA) where: Base-Base interactions energy: -1772.254 where: short stacking energy: -777.423 Base-Backbone interact. energy: 5.782 local terms energy: -855.410087 where: bonds (distance) C4'-P energy: -164.736 bonds (distance) P-C4' energy: -172.404 flat angles C4'-P-C4' energy: -181.910 flat angles P-C4'-P energy: -123.437 tors. eta vs tors. theta energy: -212.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -2355.738777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.738777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.738777 (E_RNA) where: Base-Base interactions energy: -1563.833 where: short stacking energy: -687.181 Base-Backbone interact. energy: 0.979 local terms energy: -792.885231 where: bonds (distance) C4'-P energy: -153.253 bonds (distance) P-C4' energy: -159.920 flat angles C4'-P-C4' energy: -177.958 flat angles P-C4'-P energy: -126.527 tors. eta vs tors. theta energy: -175.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -2328.486347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.486347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.486347 (E_RNA) where: Base-Base interactions energy: -1588.191 where: short stacking energy: -691.732 Base-Backbone interact. energy: -3.699 local terms energy: -736.596853 where: bonds (distance) C4'-P energy: -134.994 bonds (distance) P-C4' energy: -157.170 flat angles C4'-P-C4' energy: -172.587 flat angles P-C4'-P energy: -97.711 tors. eta vs tors. theta energy: -174.134 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: 1 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1941.129930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.129930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.129930 (E_RNA) where: Base-Base interactions energy: -1231.564 where: short stacking energy: -566.572 Base-Backbone interact. energy: 4.226 local terms energy: -713.792753 where: bonds (distance) C4'-P energy: -158.950 bonds (distance) P-C4' energy: -147.639 flat angles C4'-P-C4' energy: -167.563 flat angles P-C4'-P energy: -113.964 tors. eta vs tors. theta energy: -125.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -1740.801585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.801585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.801585 (E_RNA) where: Base-Base interactions energy: -1089.922 where: short stacking energy: -511.362 Base-Backbone interact. energy: 0.221 local terms energy: -651.100948 where: bonds (distance) C4'-P energy: -139.666 bonds (distance) P-C4' energy: -140.958 flat angles C4'-P-C4' energy: -160.217 flat angles P-C4'-P energy: -88.335 tors. eta vs tors. theta energy: -121.925 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: 3 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -1256.699975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.699975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.699975 (E_RNA) where: Base-Base interactions energy: -678.523 where: short stacking energy: -349.928 Base-Backbone interact. energy: -1.447 local terms energy: -576.730048 where: bonds (distance) C4'-P energy: -136.598 bonds (distance) P-C4' energy: -167.414 flat angles C4'-P-C4' energy: -141.155 flat angles P-C4'-P energy: -81.220 tors. eta vs tors. theta energy: -50.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -1006.890479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.890479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.890479 (E_RNA) where: Base-Base interactions energy: -503.553 where: short stacking energy: -293.261 Base-Backbone interact. energy: 3.558 local terms energy: -506.895422 where: bonds (distance) C4'-P energy: -136.794 bonds (distance) P-C4' energy: -178.130 flat angles C4'-P-C4' energy: -116.484 flat angles P-C4'-P energy: -70.946 tors. eta vs tors. theta energy: -4.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -3081.829175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.829175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.829175 (E_RNA) where: Base-Base interactions energy: -2101.390 where: short stacking energy: -901.947 Base-Backbone interact. energy: -4.638 local terms energy: -975.801020 where: bonds (distance) C4'-P energy: -185.180 bonds (distance) P-C4' energy: -181.286 flat angles C4'-P-C4' energy: -215.170 flat angles P-C4'-P energy: -128.406 tors. eta vs tors. theta energy: -265.759 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: 2, replica: 4 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -2830.817080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.817080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.817080 (E_RNA) where: Base-Base interactions energy: -1921.126 where: short stacking energy: -837.960 Base-Backbone interact. energy: -0.864 local terms energy: -908.826793 where: bonds (distance) C4'-P energy: -180.961 bonds (distance) P-C4' energy: -181.391 flat angles C4'-P-C4' energy: -197.110 flat angles P-C4'-P energy: -128.511 tors. eta vs tors. theta energy: -220.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -2741.136412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.136412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.136412 (E_RNA) where: Base-Base interactions energy: -1857.097 where: short stacking energy: -830.895 Base-Backbone interact. energy: -2.937 local terms energy: -881.103228 where: bonds (distance) C4'-P energy: -170.598 bonds (distance) P-C4' energy: -181.522 flat angles C4'-P-C4' energy: -196.584 flat angles P-C4'-P energy: -110.090 tors. eta vs tors. theta energy: -222.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -2612.871515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.871515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.871515 (E_RNA) where: Base-Base interactions energy: -1772.101 where: short stacking energy: -777.140 Base-Backbone interact. energy: -2.125 local terms energy: -838.646067 where: bonds (distance) C4'-P energy: -148.420 bonds (distance) P-C4' energy: -181.703 flat angles C4'-P-C4' energy: -188.613 flat angles P-C4'-P energy: -111.216 tors. eta vs tors. theta energy: -208.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -2265.897877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2265.897877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2265.897877 (E_RNA) where: Base-Base interactions energy: -1510.794 where: short stacking energy: -689.838 Base-Backbone interact. energy: 7.817 local terms energy: -762.920816 where: bonds (distance) C4'-P energy: -171.272 bonds (distance) P-C4' energy: -167.321 flat angles C4'-P-C4' energy: -165.390 flat angles P-C4'-P energy: -116.346 tors. eta vs tors. theta energy: -142.592 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: 6 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -2282.464404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.464404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.464404 (E_RNA) where: Base-Base interactions energy: -1495.766 where: short stacking energy: -643.274 Base-Backbone interact. energy: -0.741 local terms energy: -785.957325 where: bonds (distance) C4'-P energy: -136.855 bonds (distance) P-C4' energy: -159.649 flat angles C4'-P-C4' energy: -179.778 flat angles P-C4'-P energy: -132.397 tors. eta vs tors. theta energy: -177.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1974.316844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.316844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.316844 (E_RNA) where: Base-Base interactions energy: -1285.483 where: short stacking energy: -584.035 Base-Backbone interact. energy: 0.556 local terms energy: -689.389974 where: bonds (distance) C4'-P energy: -139.384 bonds (distance) P-C4' energy: -153.862 flat angles C4'-P-C4' energy: -177.492 flat angles P-C4'-P energy: -93.444 tors. eta vs tors. theta energy: -125.208 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: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -1697.896326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.896326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.896326 (E_RNA) where: Base-Base interactions energy: -1066.997 where: short stacking energy: -452.371 Base-Backbone interact. energy: 3.210 local terms energy: -634.109145 where: bonds (distance) C4'-P energy: -150.961 bonds (distance) P-C4' energy: -146.546 flat angles C4'-P-C4' energy: -144.957 flat angles P-C4'-P energy: -98.386 tors. eta vs tors. theta energy: -93.260 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: 9, replica: 3 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -1326.047013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.047013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.047013 (E_RNA) where: Base-Base interactions energy: -761.751 where: short stacking energy: -375.744 Base-Backbone interact. energy: -1.394 local terms energy: -562.902097 where: bonds (distance) C4'-P energy: -151.721 bonds (distance) P-C4' energy: -146.264 flat angles C4'-P-C4' energy: -133.832 flat angles P-C4'-P energy: -60.957 tors. eta vs tors. theta energy: -70.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -979.311691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.311691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.311691 (E_RNA) where: Base-Base interactions energy: -530.386 where: short stacking energy: -268.820 Base-Backbone interact. energy: 0.505 local terms energy: -449.430705 where: bonds (distance) C4'-P energy: -126.546 bonds (distance) P-C4' energy: -141.836 flat angles C4'-P-C4' energy: -102.450 flat angles P-C4'-P energy: -80.036 tors. eta vs tors. theta energy: 1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -3097.750236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.750236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.750236 (E_RNA) where: Base-Base interactions energy: -2138.367 where: short stacking energy: -907.009 Base-Backbone interact. energy: -2.728 local terms energy: -956.655118 where: bonds (distance) C4'-P energy: -183.114 bonds (distance) P-C4' energy: -171.684 flat angles C4'-P-C4' energy: -204.026 flat angles P-C4'-P energy: -140.681 tors. eta vs tors. theta energy: -257.150 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: 4 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -2800.562982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.562982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.562982 (E_RNA) where: Base-Base interactions energy: -1894.062 where: short stacking energy: -832.390 Base-Backbone interact. energy: 1.155 local terms energy: -907.656078 where: bonds (distance) C4'-P energy: -181.637 bonds (distance) P-C4' energy: -169.640 flat angles C4'-P-C4' energy: -196.483 flat angles P-C4'-P energy: -138.501 tors. eta vs tors. theta energy: -221.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -2716.965046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.965046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.965046 (E_RNA) where: Base-Base interactions energy: -1862.071 where: short stacking energy: -825.311 Base-Backbone interact. energy: -4.741 local terms energy: -850.153352 where: bonds (distance) C4'-P energy: -145.819 bonds (distance) P-C4' energy: -160.500 flat angles C4'-P-C4' energy: -203.878 flat angles P-C4'-P energy: -122.799 tors. eta vs tors. theta energy: -217.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -2592.616006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.616006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.616006 (E_RNA) where: Base-Base interactions energy: -1777.881 where: short stacking energy: -776.176 Base-Backbone interact. energy: 0.058 local terms energy: -814.793327 where: bonds (distance) C4'-P energy: -155.937 bonds (distance) P-C4' energy: -161.339 flat angles C4'-P-C4' energy: -183.440 flat angles P-C4'-P energy: -104.634 tors. eta vs tors. theta energy: -209.443 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: 6 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -2366.753504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.753504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.753504 (E_RNA) where: Base-Base interactions energy: -1596.153 where: short stacking energy: -705.818 Base-Backbone interact. energy: -2.927 local terms energy: -767.673832 where: bonds (distance) C4'-P energy: -138.739 bonds (distance) P-C4' energy: -170.932 flat angles C4'-P-C4' energy: -169.490 flat angles P-C4'-P energy: -94.608 tors. eta vs tors. theta energy: -193.904 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: 80 Temperature: 1.150000 Total energy: -2281.227198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2281.227198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2281.227198 (E_RNA) where: Base-Base interactions energy: -1531.710 where: short stacking energy: -665.474 Base-Backbone interact. energy: -5.831 local terms energy: -743.686183 where: bonds (distance) C4'-P energy: -169.421 bonds (distance) P-C4' energy: -158.392 flat angles C4'-P-C4' energy: -151.195 flat angles P-C4'-P energy: -98.012 tors. eta vs tors. theta energy: -166.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1949.837095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.837095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.837095 (E_RNA) where: Base-Base interactions energy: -1281.536 where: short stacking energy: -581.023 Base-Backbone interact. energy: -3.669 local terms energy: -664.631742 where: bonds (distance) C4'-P energy: -163.520 bonds (distance) P-C4' energy: -160.957 flat angles C4'-P-C4' energy: -155.723 flat angles P-C4'-P energy: -73.792 tors. eta vs tors. theta energy: -110.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -1786.257038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.257038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.257038 (E_RNA) where: Base-Base interactions energy: -1156.405 where: short stacking energy: -529.512 Base-Backbone interact. energy: -1.323 local terms energy: -628.529106 where: bonds (distance) C4'-P energy: -147.689 bonds (distance) P-C4' energy: -142.533 flat angles C4'-P-C4' energy: -133.512 flat angles P-C4'-P energy: -106.639 tors. eta vs tors. theta energy: -98.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -1385.197056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.197056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.197056 (E_RNA) where: Base-Base interactions energy: -810.065 where: short stacking energy: -413.343 Base-Backbone interact. energy: 7.070 local terms energy: -582.202281 where: bonds (distance) C4'-P energy: -125.497 bonds (distance) P-C4' energy: -156.202 flat angles C4'-P-C4' energy: -138.580 flat angles P-C4'-P energy: -108.748 tors. eta vs tors. theta energy: -53.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -978.332719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.332719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.332719 (E_RNA) where: Base-Base interactions energy: -504.234 where: short stacking energy: -264.129 Base-Backbone interact. energy: 1.658 local terms energy: -475.757376 where: bonds (distance) C4'-P energy: -147.718 bonds (distance) P-C4' energy: -146.984 flat angles C4'-P-C4' energy: -106.597 flat angles P-C4'-P energy: -68.554 tors. eta vs tors. theta energy: -5.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -3102.790302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.790302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.790302 (E_RNA) where: Base-Base interactions energy: -2119.035 where: short stacking energy: -923.338 Base-Backbone interact. energy: -1.806 local terms energy: -981.949441 where: bonds (distance) C4'-P energy: -192.526 bonds (distance) P-C4' energy: -199.910 flat angles C4'-P-C4' energy: -209.294 flat angles P-C4'-P energy: -129.298 tors. eta vs tors. theta energy: -250.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -2874.575729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.575729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.575729 (E_RNA) where: Base-Base interactions energy: -1949.226 where: short stacking energy: -857.537 Base-Backbone interact. energy: -3.305 local terms energy: -922.045019 where: bonds (distance) C4'-P energy: -180.959 bonds (distance) P-C4' energy: -167.160 flat angles C4'-P-C4' energy: -203.961 flat angles P-C4'-P energy: -133.348 tors. eta vs tors. theta energy: -236.617 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: 2 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -2728.291978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.291978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.291978 (E_RNA) where: Base-Base interactions energy: -1841.438 where: short stacking energy: -828.971 Base-Backbone interact. energy: -3.086 local terms energy: -883.768309 where: bonds (distance) C4'-P energy: -162.447 bonds (distance) P-C4' energy: -177.066 flat angles C4'-P-C4' energy: -196.616 flat angles P-C4'-P energy: -111.145 tors. eta vs tors. theta energy: -236.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -2617.795568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.795568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.795568 (E_RNA) where: Base-Base interactions energy: -1767.363 where: short stacking energy: -783.903 Base-Backbone interact. energy: -3.182 local terms energy: -847.250621 where: bonds (distance) C4'-P energy: -166.702 bonds (distance) P-C4' energy: -171.073 flat angles C4'-P-C4' energy: -196.396 flat angles P-C4'-P energy: -113.173 tors. eta vs tors. theta energy: -199.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -2459.374981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.374981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.374981 (E_RNA) where: Base-Base interactions energy: -1668.907 where: short stacking energy: -749.456 Base-Backbone interact. energy: 2.013 local terms energy: -792.481089 where: bonds (distance) C4'-P energy: -133.980 bonds (distance) P-C4' energy: -152.847 flat angles C4'-P-C4' energy: -180.727 flat angles P-C4'-P energy: -140.605 tors. eta vs tors. theta energy: -184.321 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: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -2230.642848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.642848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.642848 (E_RNA) where: Base-Base interactions energy: -1470.901 where: short stacking energy: -646.120 Base-Backbone interact. energy: -1.408 local terms energy: -758.333192 where: bonds (distance) C4'-P energy: -140.599 bonds (distance) P-C4' energy: -164.361 flat angles C4'-P-C4' energy: -178.949 flat angles P-C4'-P energy: -102.714 tors. eta vs tors. theta energy: -171.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1924.434586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.434586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.434586 (E_RNA) where: Base-Base interactions energy: -1259.847 where: short stacking energy: -576.376 Base-Backbone interact. energy: -1.745 local terms energy: -662.842819 where: bonds (distance) C4'-P energy: -154.811 bonds (distance) P-C4' energy: -145.390 flat angles C4'-P-C4' energy: -164.253 flat angles P-C4'-P energy: -96.584 tors. eta vs tors. theta energy: -101.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -1786.942928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.942928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.942928 (E_RNA) where: Base-Base interactions energy: -1113.830 where: short stacking energy: -522.141 Base-Backbone interact. energy: -0.684 local terms energy: -672.429150 where: bonds (distance) C4'-P energy: -160.934 bonds (distance) P-C4' energy: -147.909 flat angles C4'-P-C4' energy: -162.049 flat angles P-C4'-P energy: -92.282 tors. eta vs tors. theta energy: -109.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -1368.276722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.276722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.276722 (E_RNA) where: Base-Base interactions energy: -792.191 where: short stacking energy: -386.578 Base-Backbone interact. energy: -3.595 local terms energy: -572.490358 where: bonds (distance) C4'-P energy: -140.531 bonds (distance) P-C4' energy: -155.755 flat angles C4'-P-C4' energy: -140.215 flat angles P-C4'-P energy: -75.658 tors. eta vs tors. theta energy: -60.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -1066.381413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.381413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.381413 (E_RNA) where: Base-Base interactions energy: -564.693 where: short stacking energy: -261.549 Base-Backbone interact. energy: 2.058 local terms energy: -503.746180 where: bonds (distance) C4'-P energy: -122.882 bonds (distance) P-C4' energy: -163.394 flat angles C4'-P-C4' energy: -134.316 flat angles P-C4'-P energy: -73.344 tors. eta vs tors. theta energy: -9.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -3082.808267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.808267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.808267 (E_RNA) where: Base-Base interactions energy: -2125.172 where: short stacking energy: -901.889 Base-Backbone interact. energy: 0.630 local terms energy: -958.265815 where: bonds (distance) C4'-P energy: -181.055 bonds (distance) P-C4' energy: -179.632 flat angles C4'-P-C4' energy: -207.031 flat angles P-C4'-P energy: -135.814 tors. eta vs tors. theta energy: -254.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -2870.194509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.194509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.194509 (E_RNA) where: Base-Base interactions energy: -1961.927 where: short stacking energy: -851.155 Base-Backbone interact. energy: 0.982 local terms energy: -909.249741 where: bonds (distance) C4'-P energy: -176.720 bonds (distance) P-C4' energy: -165.295 flat angles C4'-P-C4' energy: -202.884 flat angles P-C4'-P energy: -135.794 tors. eta vs tors. theta energy: -228.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -2714.299447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.299447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.299447 (E_RNA) where: Base-Base interactions energy: -1839.966 where: short stacking energy: -810.485 Base-Backbone interact. energy: -4.456 local terms energy: -869.877108 where: bonds (distance) C4'-P energy: -160.502 bonds (distance) P-C4' energy: -171.723 flat angles C4'-P-C4' energy: -191.538 flat angles P-C4'-P energy: -133.101 tors. eta vs tors. theta energy: -213.013 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: 4, replica: 10 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -2583.529073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.529073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.529073 (E_RNA) where: Base-Base interactions energy: -1735.539 where: short stacking energy: -767.909 Base-Backbone interact. energy: 1.545 local terms energy: -849.535543 where: bonds (distance) C4'-P energy: -184.236 bonds (distance) P-C4' energy: -163.427 flat angles C4'-P-C4' energy: -172.749 flat angles P-C4'-P energy: -126.030 tors. eta vs tors. theta energy: -203.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -2439.063781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.063781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.063781 (E_RNA) where: Base-Base interactions energy: -1640.088 where: short stacking energy: -735.287 Base-Backbone interact. energy: 0.415 local terms energy: -799.390888 where: bonds (distance) C4'-P energy: -154.952 bonds (distance) P-C4' energy: -163.597 flat angles C4'-P-C4' energy: -180.521 flat angles P-C4'-P energy: -105.922 tors. eta vs tors. theta energy: -194.400 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: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -2237.580623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.580623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.580623 (E_RNA) where: Base-Base interactions energy: -1467.017 where: short stacking energy: -657.851 Base-Backbone interact. energy: 0.831 local terms energy: -771.394871 where: bonds (distance) C4'-P energy: -164.263 bonds (distance) P-C4' energy: -149.895 flat angles C4'-P-C4' energy: -174.493 flat angles P-C4'-P energy: -120.076 tors. eta vs tors. theta energy: -162.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1899.999205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.999205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.999205 (E_RNA) where: Base-Base interactions energy: -1184.311 where: short stacking energy: -577.960 Base-Backbone interact. energy: -1.236 local terms energy: -714.452364 where: bonds (distance) C4'-P energy: -148.486 bonds (distance) P-C4' energy: -141.796 flat angles C4'-P-C4' energy: -162.822 flat angles P-C4'-P energy: -104.108 tors. eta vs tors. theta energy: -157.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -1766.313056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.313056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.313056 (E_RNA) where: Base-Base interactions energy: -1122.192 where: short stacking energy: -519.419 Base-Backbone interact. energy: -0.879 local terms energy: -643.242976 where: bonds (distance) C4'-P energy: -155.171 bonds (distance) P-C4' energy: -136.125 flat angles C4'-P-C4' energy: -152.548 flat angles P-C4'-P energy: -105.297 tors. eta vs tors. theta energy: -94.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -1422.697658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.697658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.697658 (E_RNA) where: Base-Base interactions energy: -825.415 where: short stacking energy: -400.807 Base-Backbone interact. energy: -3.114 local terms energy: -594.168148 where: bonds (distance) C4'-P energy: -148.438 bonds (distance) P-C4' energy: -147.889 flat angles C4'-P-C4' energy: -148.071 flat angles P-C4'-P energy: -80.959 tors. eta vs tors. theta energy: -68.811 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: 5 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -1076.659445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.659445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.659445 (E_RNA) where: Base-Base interactions energy: -624.112 where: short stacking energy: -334.401 Base-Backbone interact. energy: -0.246 local terms energy: -452.301415 where: bonds (distance) C4'-P energy: -121.426 bonds (distance) P-C4' energy: -118.921 flat angles C4'-P-C4' energy: -120.288 flat angles P-C4'-P energy: -65.295 tors. eta vs tors. theta energy: -26.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -3115.620222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.620222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.620222 (E_RNA) where: Base-Base interactions energy: -2147.497 where: short stacking energy: -914.891 Base-Backbone interact. energy: 0.152 local terms energy: -968.274824 where: bonds (distance) C4'-P energy: -176.046 bonds (distance) P-C4' energy: -173.529 flat angles C4'-P-C4' energy: -204.408 flat angles P-C4'-P energy: -144.981 tors. eta vs tors. theta energy: -269.311 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: 4 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -2863.927939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.927939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.927939 (E_RNA) where: Base-Base interactions energy: -1961.160 where: short stacking energy: -834.544 Base-Backbone interact. energy: -3.714 local terms energy: -899.053782 where: bonds (distance) C4'-P energy: -156.982 bonds (distance) P-C4' energy: -171.583 flat angles C4'-P-C4' energy: -196.128 flat angles P-C4'-P energy: -149.622 tors. eta vs tors. theta energy: -224.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -2724.730622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.730622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.730622 (E_RNA) where: Base-Base interactions energy: -1882.927 where: short stacking energy: -815.205 Base-Backbone interact. energy: -2.505 local terms energy: -839.299096 where: bonds (distance) C4'-P energy: -158.866 bonds (distance) P-C4' energy: -157.336 flat angles C4'-P-C4' energy: -186.404 flat angles P-C4'-P energy: -124.105 tors. eta vs tors. theta energy: -212.588 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: 10 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -2618.028176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2618.028176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2618.028176 (E_RNA) where: Base-Base interactions energy: -1779.322 where: short stacking energy: -810.416 Base-Backbone interact. energy: -5.152 local terms energy: -833.553601 where: bonds (distance) C4'-P energy: -139.932 bonds (distance) P-C4' energy: -161.361 flat angles C4'-P-C4' energy: -190.541 flat angles P-C4'-P energy: -114.940 tors. eta vs tors. theta energy: -226.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -2406.417643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.417643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.417643 (E_RNA) where: Base-Base interactions energy: -1624.311 where: short stacking energy: -759.292 Base-Backbone interact. energy: 4.226 local terms energy: -786.332189 where: bonds (distance) C4'-P energy: -155.899 bonds (distance) P-C4' energy: -162.760 flat angles C4'-P-C4' energy: -181.607 flat angles P-C4'-P energy: -91.850 tors. eta vs tors. theta energy: -194.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -2263.470573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.470573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.470573 (E_RNA) where: Base-Base interactions energy: -1484.549 where: short stacking energy: -654.244 Base-Backbone interact. energy: -0.158 local terms energy: -778.762893 where: bonds (distance) C4'-P energy: -148.266 bonds (distance) P-C4' energy: -179.752 flat angles C4'-P-C4' energy: -176.356 flat angles P-C4'-P energy: -113.018 tors. eta vs tors. theta energy: -161.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1879.985878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.985878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.985878 (E_RNA) where: Base-Base interactions energy: -1211.586 where: short stacking energy: -538.942 Base-Backbone interact. energy: 3.491 local terms energy: -671.890904 where: bonds (distance) C4'-P energy: -158.075 bonds (distance) P-C4' energy: -162.543 flat angles C4'-P-C4' energy: -152.276 flat angles P-C4'-P energy: -93.266 tors. eta vs tors. theta energy: -105.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -1800.474807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.474807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.474807 (E_RNA) where: Base-Base interactions energy: -1171.547 where: short stacking energy: -516.088 Base-Backbone interact. energy: -2.478 local terms energy: -626.450367 where: bonds (distance) C4'-P energy: -139.612 bonds (distance) P-C4' energy: -134.209 flat angles C4'-P-C4' energy: -148.099 flat angles P-C4'-P energy: -107.967 tors. eta vs tors. theta energy: -96.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -1417.307157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.307157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.307157 (E_RNA) where: Base-Base interactions energy: -820.980 where: short stacking energy: -412.595 Base-Backbone interact. energy: 6.677 local terms energy: -603.003414 where: bonds (distance) C4'-P energy: -168.644 bonds (distance) P-C4' energy: -139.481 flat angles C4'-P-C4' energy: -135.723 flat angles P-C4'-P energy: -96.276 tors. eta vs tors. theta energy: -62.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -1059.352296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.352296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.352296 (E_RNA) where: Base-Base interactions energy: -585.992 where: short stacking energy: -285.293 Base-Backbone interact. energy: 6.866 local terms energy: -480.226847 where: bonds (distance) C4'-P energy: -135.942 bonds (distance) P-C4' energy: -134.056 flat angles C4'-P-C4' energy: -129.709 flat angles P-C4'-P energy: -86.535 tors. eta vs tors. theta energy: 6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -3105.859008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3105.859008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3105.859008 (E_RNA) where: Base-Base interactions energy: -2140.669 where: short stacking energy: -901.512 Base-Backbone interact. energy: 0.777 local terms energy: -965.967190 where: bonds (distance) C4'-P energy: -190.343 bonds (distance) P-C4' energy: -178.758 flat angles C4'-P-C4' energy: -209.879 flat angles P-C4'-P energy: -129.270 tors. eta vs tors. theta energy: -257.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -2890.095843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.095843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.095843 (E_RNA) where: Base-Base interactions energy: -1969.323 where: short stacking energy: -831.601 Base-Backbone interact. energy: 0.178 local terms energy: -920.951375 where: bonds (distance) C4'-P energy: -177.783 bonds (distance) P-C4' energy: -184.256 flat angles C4'-P-C4' energy: -199.099 flat angles P-C4'-P energy: -129.249 tors. eta vs tors. theta energy: -230.564 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: 2 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -2747.561026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.561026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.561026 (E_RNA) where: Base-Base interactions energy: -1876.027 where: short stacking energy: -835.689 Base-Backbone interact. energy: -2.281 local terms energy: -869.253136 where: bonds (distance) C4'-P energy: -161.030 bonds (distance) P-C4' energy: -178.369 flat angles C4'-P-C4' energy: -189.400 flat angles P-C4'-P energy: -127.980 tors. eta vs tors. theta energy: -212.474 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: 10 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -2571.013656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.013656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.013656 (E_RNA) where: Base-Base interactions energy: -1723.722 where: short stacking energy: -763.574 Base-Backbone interact. energy: -2.152 local terms energy: -845.139587 where: bonds (distance) C4'-P energy: -161.855 bonds (distance) P-C4' energy: -175.095 flat angles C4'-P-C4' energy: -181.571 flat angles P-C4'-P energy: -124.288 tors. eta vs tors. theta energy: -202.330 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: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -2354.673984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2354.673984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2354.673984 (E_RNA) where: Base-Base interactions energy: -1575.347 where: short stacking energy: -716.557 Base-Backbone interact. energy: 0.290 local terms energy: -779.617232 where: bonds (distance) C4'-P energy: -145.665 bonds (distance) P-C4' energy: -147.043 flat angles C4'-P-C4' energy: -170.610 flat angles P-C4'-P energy: -120.347 tors. eta vs tors. theta energy: -195.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -2259.721030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.721030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.721030 (E_RNA) where: Base-Base interactions energy: -1485.221 where: short stacking energy: -629.151 Base-Backbone interact. energy: 9.820 local terms energy: -784.320332 where: bonds (distance) C4'-P energy: -169.922 bonds (distance) P-C4' energy: -164.057 flat angles C4'-P-C4' energy: -187.037 flat angles P-C4'-P energy: -114.596 tors. eta vs tors. theta energy: -148.709 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: 9 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1913.782352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.782352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.782352 (E_RNA) where: Base-Base interactions energy: -1244.606 where: short stacking energy: -571.264 Base-Backbone interact. energy: -4.449 local terms energy: -664.727787 where: bonds (distance) C4'-P energy: -140.812 bonds (distance) P-C4' energy: -155.757 flat angles C4'-P-C4' energy: -137.815 flat angles P-C4'-P energy: -109.319 tors. eta vs tors. theta energy: -121.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -1882.722937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.722937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.722937 (E_RNA) where: Base-Base interactions energy: -1207.954 where: short stacking energy: -547.127 Base-Backbone interact. energy: 7.391 local terms energy: -682.160044 where: bonds (distance) C4'-P energy: -157.526 bonds (distance) P-C4' energy: -165.353 flat angles C4'-P-C4' energy: -169.239 flat angles P-C4'-P energy: -93.216 tors. eta vs tors. theta energy: -96.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -1377.540531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.540531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.540531 (E_RNA) where: Base-Base interactions energy: -798.009 where: short stacking energy: -396.831 Base-Backbone interact. energy: -4.473 local terms energy: -575.058804 where: bonds (distance) C4'-P energy: -143.953 bonds (distance) P-C4' energy: -163.045 flat angles C4'-P-C4' energy: -143.999 flat angles P-C4'-P energy: -74.758 tors. eta vs tors. theta energy: -49.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -994.524149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.524149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.524149 (E_RNA) where: Base-Base interactions energy: -511.696 where: short stacking energy: -259.567 Base-Backbone interact. energy: -2.215 local terms energy: -480.613197 where: bonds (distance) C4'-P energy: -139.640 bonds (distance) P-C4' energy: -157.724 flat angles C4'-P-C4' energy: -119.708 flat angles P-C4'-P energy: -77.274 tors. eta vs tors. theta energy: 13.731 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: 7 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -3085.999841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.999841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.999841 (E_RNA) where: Base-Base interactions energy: -2146.384 where: short stacking energy: -915.666 Base-Backbone interact. energy: -2.234 local terms energy: -937.381014 where: bonds (distance) C4'-P energy: -171.393 bonds (distance) P-C4' energy: -167.841 flat angles C4'-P-C4' energy: -195.308 flat angles P-C4'-P energy: -137.557 tors. eta vs tors. theta energy: -265.282 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: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -2888.101898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.101898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.101898 (E_RNA) where: Base-Base interactions energy: -1992.839 where: short stacking energy: -873.855 Base-Backbone interact. energy: -0.498 local terms energy: -894.765199 where: bonds (distance) C4'-P energy: -172.070 bonds (distance) P-C4' energy: -180.374 flat angles C4'-P-C4' energy: -194.740 flat angles P-C4'-P energy: -120.884 tors. eta vs tors. theta energy: -226.698 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: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -2721.148896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.148896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.148896 (E_RNA) where: Base-Base interactions energy: -1856.244 where: short stacking energy: -831.068 Base-Backbone interact. energy: -3.362 local terms energy: -861.543250 where: bonds (distance) C4'-P energy: -156.084 bonds (distance) P-C4' energy: -169.936 flat angles C4'-P-C4' energy: -190.003 flat angles P-C4'-P energy: -122.244 tors. eta vs tors. theta energy: -223.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -2602.532991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.532991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.532991 (E_RNA) where: Base-Base interactions energy: -1750.754 where: short stacking energy: -788.175 Base-Backbone interact. energy: -1.113 local terms energy: -850.666265 where: bonds (distance) C4'-P energy: -171.274 bonds (distance) P-C4' energy: -158.436 flat angles C4'-P-C4' energy: -197.687 flat angles P-C4'-P energy: -118.213 tors. eta vs tors. theta energy: -205.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -2422.156914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.156914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.156914 (E_RNA) where: Base-Base interactions energy: -1637.537 where: short stacking energy: -710.974 Base-Backbone interact. energy: 0.809 local terms energy: -785.429204 where: bonds (distance) C4'-P energy: -150.700 bonds (distance) P-C4' energy: -170.049 flat angles C4'-P-C4' energy: -175.337 flat angles P-C4'-P energy: -110.168 tors. eta vs tors. theta energy: -179.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -2319.291683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.291683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.291683 (E_RNA) where: Base-Base interactions energy: -1538.825 where: short stacking energy: -681.806 Base-Backbone interact. energy: -2.710 local terms energy: -777.756974 where: bonds (distance) C4'-P energy: -163.485 bonds (distance) P-C4' energy: -162.976 flat angles C4'-P-C4' energy: -179.027 flat angles P-C4'-P energy: -100.210 tors. eta vs tors. theta energy: -172.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1811.839752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.839752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.839752 (E_RNA) where: Base-Base interactions energy: -1169.492 where: short stacking energy: -523.483 Base-Backbone interact. energy: -0.717 local terms energy: -641.631011 where: bonds (distance) C4'-P energy: -132.066 bonds (distance) P-C4' energy: -140.789 flat angles C4'-P-C4' energy: -154.571 flat angles P-C4'-P energy: -106.755 tors. eta vs tors. theta energy: -107.450 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: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -1901.750879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1901.750879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1901.750879 (E_RNA) where: Base-Base interactions energy: -1273.447 where: short stacking energy: -550.419 Base-Backbone interact. energy: -2.312 local terms energy: -625.991020 where: bonds (distance) C4'-P energy: -123.403 bonds (distance) P-C4' energy: -158.335 flat angles C4'-P-C4' energy: -139.999 flat angles P-C4'-P energy: -94.281 tors. eta vs tors. theta energy: -109.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -1439.604535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.604535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.604535 (E_RNA) where: Base-Base interactions energy: -852.553 where: short stacking energy: -439.268 Base-Backbone interact. energy: 4.201 local terms energy: -591.253273 where: bonds (distance) C4'-P energy: -152.995 bonds (distance) P-C4' energy: -158.323 flat angles C4'-P-C4' energy: -140.988 flat angles P-C4'-P energy: -71.713 tors. eta vs tors. theta energy: -67.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -883.012725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.012725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.012725 (E_RNA) where: Base-Base interactions energy: -396.136 where: short stacking energy: -222.541 Base-Backbone interact. energy: 0.256 local terms energy: -487.132759 where: bonds (distance) C4'-P energy: -155.544 bonds (distance) P-C4' energy: -153.595 flat angles C4'-P-C4' energy: -131.345 flat angles P-C4'-P energy: -77.174 tors. eta vs tors. theta energy: 30.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -3101.239016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.239016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.239016 (E_RNA) where: Base-Base interactions energy: -2130.134 where: short stacking energy: -911.728 Base-Backbone interact. energy: -6.970 local terms energy: -964.134406 where: bonds (distance) C4'-P energy: -176.577 bonds (distance) P-C4' energy: -168.912 flat angles C4'-P-C4' energy: -201.403 flat angles P-C4'-P energy: -149.797 tors. eta vs tors. theta energy: -267.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -2935.231968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.231968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.231968 (E_RNA) where: Base-Base interactions energy: -2043.620 where: short stacking energy: -887.634 Base-Backbone interact. energy: -0.245 local terms energy: -891.367300 where: bonds (distance) C4'-P energy: -176.251 bonds (distance) P-C4' energy: -141.105 flat angles C4'-P-C4' energy: -194.205 flat angles P-C4'-P energy: -133.700 tors. eta vs tors. theta energy: -246.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -2733.266082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.266082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.266082 (E_RNA) where: Base-Base interactions energy: -1871.456 where: short stacking energy: -849.999 Base-Backbone interact. energy: -2.601 local terms energy: -859.208623 where: bonds (distance) C4'-P energy: -182.203 bonds (distance) P-C4' energy: -160.982 flat angles C4'-P-C4' energy: -186.039 flat angles P-C4'-P energy: -101.196 tors. eta vs tors. theta energy: -228.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -2646.430504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.430504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.430504 (E_RNA) where: Base-Base interactions energy: -1789.190 where: short stacking energy: -790.832 Base-Backbone interact. energy: -1.882 local terms energy: -855.358879 where: bonds (distance) C4'-P energy: -164.824 bonds (distance) P-C4' energy: -182.436 flat angles C4'-P-C4' energy: -178.411 flat angles P-C4'-P energy: -115.307 tors. eta vs tors. theta energy: -214.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -2459.065269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2459.065269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2459.065269 (E_RNA) where: Base-Base interactions energy: -1632.540 where: short stacking energy: -736.783 Base-Backbone interact. energy: -2.425 local terms energy: -824.099424 where: bonds (distance) C4'-P energy: -145.664 bonds (distance) P-C4' energy: -162.681 flat angles C4'-P-C4' energy: -191.919 flat angles P-C4'-P energy: -132.960 tors. eta vs tors. theta energy: -190.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -2406.925178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2406.925178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2406.925178 (E_RNA) where: Base-Base interactions energy: -1631.774 where: short stacking energy: -681.639 Base-Backbone interact. energy: 6.132 local terms energy: -781.283211 where: bonds (distance) C4'-P energy: -165.888 bonds (distance) P-C4' energy: -164.702 flat angles C4'-P-C4' energy: -173.529 flat angles P-C4'-P energy: -114.153 tors. eta vs tors. theta energy: -163.011 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: 9 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1896.950334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.950334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.950334 (E_RNA) where: Base-Base interactions energy: -1255.993 where: short stacking energy: -562.371 Base-Backbone interact. energy: -4.807 local terms energy: -636.150385 where: bonds (distance) C4'-P energy: -129.761 bonds (distance) P-C4' energy: -144.178 flat angles C4'-P-C4' energy: -167.940 flat angles P-C4'-P energy: -95.873 tors. eta vs tors. theta energy: -98.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1787.068710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.068710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.068710 (E_RNA) where: Base-Base interactions energy: -1142.063 where: short stacking energy: -527.485 Base-Backbone interact. energy: 2.519 local terms energy: -647.524509 where: bonds (distance) C4'-P energy: -136.656 bonds (distance) P-C4' energy: -138.534 flat angles C4'-P-C4' energy: -179.964 flat angles P-C4'-P energy: -96.616 tors. eta vs tors. theta energy: -95.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -1457.233098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.233098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.233098 (E_RNA) where: Base-Base interactions energy: -855.047 where: short stacking energy: -402.629 Base-Backbone interact. energy: 5.966 local terms energy: -608.152891 where: bonds (distance) C4'-P energy: -155.730 bonds (distance) P-C4' energy: -140.066 flat angles C4'-P-C4' energy: -131.730 flat angles P-C4'-P energy: -107.854 tors. eta vs tors. theta energy: -72.773 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: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -971.965999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.965999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.965999 (E_RNA) where: Base-Base interactions energy: -469.177 where: short stacking energy: -263.263 Base-Backbone interact. energy: 4.869 local terms energy: -507.657897 where: bonds (distance) C4'-P energy: -150.988 bonds (distance) P-C4' energy: -136.086 flat angles C4'-P-C4' energy: -135.263 flat angles P-C4'-P energy: -82.383 tors. eta vs tors. theta energy: -2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -3082.038329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.038329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.038329 (E_RNA) where: Base-Base interactions energy: -2096.471 where: short stacking energy: -887.370 Base-Backbone interact. energy: -4.236 local terms energy: -981.331078 where: bonds (distance) C4'-P energy: -189.446 bonds (distance) P-C4' energy: -195.470 flat angles C4'-P-C4' energy: -198.895 flat angles P-C4'-P energy: -135.675 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: 4 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -2921.314974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.314974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.314974 (E_RNA) where: Base-Base interactions energy: -2021.893 where: short stacking energy: -865.703 Base-Backbone interact. energy: -3.832 local terms energy: -895.589500 where: bonds (distance) C4'-P energy: -172.790 bonds (distance) P-C4' energy: -173.153 flat angles C4'-P-C4' energy: -199.251 flat angles P-C4'-P energy: -121.986 tors. eta vs tors. theta energy: -228.409 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: 3, replica: 2 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -2689.714408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.714408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.714408 (E_RNA) where: Base-Base interactions energy: -1844.981 where: short stacking energy: -842.873 Base-Backbone interact. energy: 3.276 local terms energy: -848.010070 where: bonds (distance) C4'-P energy: -146.216 bonds (distance) P-C4' energy: -179.339 flat angles C4'-P-C4' energy: -200.381 flat angles P-C4'-P energy: -96.977 tors. eta vs tors. theta energy: -225.097 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: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -2627.681269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.681269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.681269 (E_RNA) where: Base-Base interactions energy: -1797.838 where: short stacking energy: -759.515 Base-Backbone interact. energy: -0.133 local terms energy: -829.710329 where: bonds (distance) C4'-P energy: -155.095 bonds (distance) P-C4' energy: -172.750 flat angles C4'-P-C4' energy: -179.865 flat angles P-C4'-P energy: -107.726 tors. eta vs tors. theta energy: -214.274 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: 6 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -2418.468617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.468617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.468617 (E_RNA) where: Base-Base interactions energy: -1609.010 where: short stacking energy: -756.510 Base-Backbone interact. energy: -1.363 local terms energy: -808.095587 where: bonds (distance) C4'-P energy: -155.208 bonds (distance) P-C4' energy: -162.938 flat angles C4'-P-C4' energy: -172.876 flat angles P-C4'-P energy: -113.931 tors. eta vs tors. theta energy: -203.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -2379.892276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.892276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.892276 (E_RNA) where: Base-Base interactions energy: -1611.334 where: short stacking energy: -700.240 Base-Backbone interact. energy: -4.195 local terms energy: -764.363454 where: bonds (distance) C4'-P energy: -154.084 bonds (distance) P-C4' energy: -151.692 flat angles C4'-P-C4' energy: -176.282 flat angles P-C4'-P energy: -100.423 tors. eta vs tors. theta energy: -181.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1984.316975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1984.316975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1984.316975 (E_RNA) where: Base-Base interactions energy: -1308.252 where: short stacking energy: -599.263 Base-Backbone interact. energy: -0.841 local terms energy: -675.223403 where: bonds (distance) C4'-P energy: -141.696 bonds (distance) P-C4' energy: -141.164 flat angles C4'-P-C4' energy: -156.987 flat angles P-C4'-P energy: -110.970 tors. eta vs tors. theta energy: -124.407 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: 8, replica: 1 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -1772.797717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.797717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.797717 (E_RNA) where: Base-Base interactions energy: -1120.366 where: short stacking energy: -523.888 Base-Backbone interact. energy: -2.110 local terms energy: -650.321743 where: bonds (distance) C4'-P energy: -138.294 bonds (distance) P-C4' energy: -158.008 flat angles C4'-P-C4' energy: -149.968 flat angles P-C4'-P energy: -100.612 tors. eta vs tors. theta energy: -103.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -1439.951421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.951421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.951421 (E_RNA) where: Base-Base interactions energy: -846.894 where: short stacking energy: -407.572 Base-Backbone interact. energy: -6.715 local terms energy: -586.343103 where: bonds (distance) C4'-P energy: -160.221 bonds (distance) P-C4' energy: -148.976 flat angles C4'-P-C4' energy: -138.757 flat angles P-C4'-P energy: -80.924 tors. eta vs tors. theta energy: -57.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -1029.262735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.262735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.262735 (E_RNA) where: Base-Base interactions energy: -529.499 where: short stacking energy: -277.747 Base-Backbone interact. energy: 3.533 local terms energy: -503.296182 where: bonds (distance) C4'-P energy: -113.768 bonds (distance) P-C4' energy: -153.625 flat angles C4'-P-C4' energy: -146.440 flat angles P-C4'-P energy: -82.803 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -3127.973027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.973027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.973027 (E_RNA) where: Base-Base interactions energy: -2172.018 where: short stacking energy: -913.556 Base-Backbone interact. energy: -4.401 local terms energy: -951.554852 where: bonds (distance) C4'-P energy: -173.791 bonds (distance) P-C4' energy: -165.500 flat angles C4'-P-C4' energy: -202.372 flat angles P-C4'-P energy: -145.187 tors. eta vs tors. theta energy: -264.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -2920.311849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.311849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.311849 (E_RNA) where: Base-Base interactions energy: -2027.654 where: short stacking energy: -886.989 Base-Backbone interact. energy: -8.771 local terms energy: -883.886419 where: bonds (distance) C4'-P energy: -152.904 bonds (distance) P-C4' energy: -172.737 flat angles C4'-P-C4' energy: -197.244 flat angles P-C4'-P energy: -116.630 tors. eta vs tors. theta energy: -244.372 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: 3, replica: 2 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -2712.303169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.303169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.303169 (E_RNA) where: Base-Base interactions energy: -1844.455 where: short stacking energy: -857.357 Base-Backbone interact. energy: -2.335 local terms energy: -865.513209 where: bonds (distance) C4'-P energy: -151.239 bonds (distance) P-C4' energy: -174.842 flat angles C4'-P-C4' energy: -194.745 flat angles P-C4'-P energy: -122.551 tors. eta vs tors. theta energy: -222.136 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: 10 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -2643.452930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.452930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.452930 (E_RNA) where: Base-Base interactions energy: -1798.517 where: short stacking energy: -759.455 Base-Backbone interact. energy: -1.707 local terms energy: -843.228603 where: bonds (distance) C4'-P energy: -168.714 bonds (distance) P-C4' energy: -164.341 flat angles C4'-P-C4' energy: -171.513 flat angles P-C4'-P energy: -130.571 tors. eta vs tors. theta energy: -208.090 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: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -2423.198731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.198731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.198731 (E_RNA) where: Base-Base interactions energy: -1649.212 where: short stacking energy: -738.254 Base-Backbone interact. energy: 1.120 local terms energy: -775.106640 where: bonds (distance) C4'-P energy: -159.091 bonds (distance) P-C4' energy: -154.150 flat angles C4'-P-C4' energy: -176.194 flat angles P-C4'-P energy: -115.581 tors. eta vs tors. theta energy: -170.090 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: 6, replica: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -2366.409482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.409482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.409482 (E_RNA) where: Base-Base interactions energy: -1601.828 where: short stacking energy: -671.566 Base-Backbone interact. energy: -6.133 local terms energy: -758.448756 where: bonds (distance) C4'-P energy: -158.952 bonds (distance) P-C4' energy: -165.019 flat angles C4'-P-C4' energy: -177.641 flat angles P-C4'-P energy: -107.566 tors. eta vs tors. theta energy: -149.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1999.300480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.300480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.300480 (E_RNA) where: Base-Base interactions energy: -1329.351 where: short stacking energy: -616.554 Base-Backbone interact. energy: -0.138 local terms energy: -669.811746 where: bonds (distance) C4'-P energy: -133.610 bonds (distance) P-C4' energy: -154.699 flat angles C4'-P-C4' energy: -152.683 flat angles P-C4'-P energy: -95.127 tors. eta vs tors. theta energy: -133.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -1730.983653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.983653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.983653 (E_RNA) where: Base-Base interactions energy: -1078.758 where: short stacking energy: -498.457 Base-Backbone interact. energy: -4.267 local terms energy: -647.958795 where: bonds (distance) C4'-P energy: -166.170 bonds (distance) P-C4' energy: -140.608 flat angles C4'-P-C4' energy: -141.987 flat angles P-C4'-P energy: -95.413 tors. eta vs tors. theta energy: -103.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -1321.295883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.295883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.295883 (E_RNA) where: Base-Base interactions energy: -740.017 where: short stacking energy: -394.916 Base-Backbone interact. energy: 1.231 local terms energy: -582.509695 where: bonds (distance) C4'-P energy: -127.851 bonds (distance) P-C4' energy: -166.652 flat angles C4'-P-C4' energy: -129.419 flat angles P-C4'-P energy: -97.917 tors. eta vs tors. theta energy: -60.670 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: 10, replica: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -1040.932777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.932777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.932777 (E_RNA) where: Base-Base interactions energy: -533.918 where: short stacking energy: -280.038 Base-Backbone interact. energy: -0.263 local terms energy: -506.751102 where: bonds (distance) C4'-P energy: -134.800 bonds (distance) P-C4' energy: -156.755 flat angles C4'-P-C4' energy: -133.728 flat angles P-C4'-P energy: -83.645 tors. eta vs tors. theta energy: 2.177 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: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -3143.532921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.532921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.532921 (E_RNA) where: Base-Base interactions energy: -2134.781 where: short stacking energy: -922.302 Base-Backbone interact. energy: -5.267 local terms energy: -1003.484840 where: bonds (distance) C4'-P energy: -172.607 bonds (distance) P-C4' energy: -198.762 flat angles C4'-P-C4' energy: -207.198 flat angles P-C4'-P energy: -153.287 tors. eta vs tors. theta energy: -271.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -2944.733413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.733413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.733413 (E_RNA) where: Base-Base interactions energy: -2028.950 where: short stacking energy: -848.416 Base-Backbone interact. energy: 2.265 local terms energy: -918.048676 where: bonds (distance) C4'-P energy: -166.548 bonds (distance) P-C4' energy: -178.618 flat angles C4'-P-C4' energy: -200.349 flat angles P-C4'-P energy: -126.392 tors. eta vs tors. theta energy: -246.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -2683.588754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.588754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.588754 (E_RNA) where: Base-Base interactions energy: -1811.728 where: short stacking energy: -786.026 Base-Backbone interact. energy: -2.678 local terms energy: -869.183177 where: bonds (distance) C4'-P energy: -162.982 bonds (distance) P-C4' energy: -156.113 flat angles C4'-P-C4' energy: -203.992 flat angles P-C4'-P energy: -130.551 tors. eta vs tors. theta energy: -215.545 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: 10 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -2616.114080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.114080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.114080 (E_RNA) where: Base-Base interactions energy: -1813.616 where: short stacking energy: -804.793 Base-Backbone interact. energy: -0.157 local terms energy: -802.341045 where: bonds (distance) C4'-P energy: -147.108 bonds (distance) P-C4' energy: -144.863 flat angles C4'-P-C4' energy: -185.274 flat angles P-C4'-P energy: -113.173 tors. eta vs tors. theta energy: -211.923 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: 6 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -2520.327774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.327774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.327774 (E_RNA) where: Base-Base interactions energy: -1672.452 where: short stacking energy: -751.246 Base-Backbone interact. energy: -3.174 local terms energy: -844.701759 where: bonds (distance) C4'-P energy: -150.878 bonds (distance) P-C4' energy: -187.388 flat angles C4'-P-C4' energy: -184.096 flat angles P-C4'-P energy: -123.143 tors. eta vs tors. theta energy: -199.196 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: 89 Temperature: 1.150000 Total energy: -2326.918651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.918651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.918651 (E_RNA) where: Base-Base interactions energy: -1591.786 where: short stacking energy: -663.051 Base-Backbone interact. energy: -3.345 local terms energy: -731.787585 where: bonds (distance) C4'-P energy: -142.465 bonds (distance) P-C4' energy: -154.381 flat angles C4'-P-C4' energy: -172.860 flat angles P-C4'-P energy: -111.671 tors. eta vs tors. theta energy: -150.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -2015.339786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.339786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.339786 (E_RNA) where: Base-Base interactions energy: -1314.489 where: short stacking energy: -566.563 Base-Backbone interact. energy: 3.324 local terms energy: -704.174912 where: bonds (distance) C4'-P energy: -153.442 bonds (distance) P-C4' energy: -159.387 flat angles C4'-P-C4' energy: -157.099 flat angles P-C4'-P energy: -99.394 tors. eta vs tors. theta energy: -134.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -1786.319566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.319566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.319566 (E_RNA) where: Base-Base interactions energy: -1139.221 where: short stacking energy: -516.590 Base-Backbone interact. energy: -1.599 local terms energy: -645.499647 where: bonds (distance) C4'-P energy: -149.355 bonds (distance) P-C4' energy: -132.345 flat angles C4'-P-C4' energy: -147.929 flat angles P-C4'-P energy: -111.125 tors. eta vs tors. theta energy: -104.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -1247.451555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.451555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.451555 (E_RNA) where: Base-Base interactions energy: -700.299 where: short stacking energy: -399.282 Base-Backbone interact. energy: 8.371 local terms energy: -555.523771 where: bonds (distance) C4'-P energy: -136.399 bonds (distance) P-C4' energy: -160.591 flat angles C4'-P-C4' energy: -131.878 flat angles P-C4'-P energy: -77.401 tors. eta vs tors. theta energy: -49.255 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: 5 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -1065.823346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.823346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.823346 (E_RNA) where: Base-Base interactions energy: -578.672 where: short stacking energy: -299.466 Base-Backbone interact. energy: 3.542 local terms energy: -490.693282 where: bonds (distance) C4'-P energy: -117.543 bonds (distance) P-C4' energy: -148.614 flat angles C4'-P-C4' energy: -120.945 flat angles P-C4'-P energy: -92.385 tors. eta vs tors. theta energy: -11.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -3135.712399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.712399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.712399 (E_RNA) where: Base-Base interactions energy: -2192.439 where: short stacking energy: -931.608 Base-Backbone interact. energy: -1.716 local terms energy: -941.556834 where: bonds (distance) C4'-P energy: -175.276 bonds (distance) P-C4' energy: -157.640 flat angles C4'-P-C4' energy: -200.889 flat angles P-C4'-P energy: -139.804 tors. eta vs tors. theta energy: -267.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -2967.183861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.183861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.183861 (E_RNA) where: Base-Base interactions energy: -2039.938 where: short stacking energy: -875.186 Base-Backbone interact. energy: -3.892 local terms energy: -923.353943 where: bonds (distance) C4'-P energy: -166.485 bonds (distance) P-C4' energy: -170.035 flat angles C4'-P-C4' energy: -194.458 flat angles P-C4'-P energy: -141.470 tors. eta vs tors. theta energy: -250.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -2679.258278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.258278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.258278 (E_RNA) where: Base-Base interactions energy: -1814.327 where: short stacking energy: -778.746 Base-Backbone interact. energy: -6.693 local terms energy: -858.238199 where: bonds (distance) C4'-P energy: -138.984 bonds (distance) P-C4' energy: -186.939 flat angles C4'-P-C4' energy: -208.674 flat angles P-C4'-P energy: -134.202 tors. eta vs tors. theta energy: -189.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -2607.373357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.373357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.373357 (E_RNA) where: Base-Base interactions energy: -1787.319 where: short stacking energy: -788.035 Base-Backbone interact. energy: -3.008 local terms energy: -817.045607 where: bonds (distance) C4'-P energy: -150.091 bonds (distance) P-C4' energy: -156.410 flat angles C4'-P-C4' energy: -170.878 flat angles P-C4'-P energy: -134.736 tors. eta vs tors. theta energy: -204.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -2450.861206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.861206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.861206 (E_RNA) where: Base-Base interactions energy: -1671.618 where: short stacking energy: -742.012 Base-Backbone interact. energy: -1.447 local terms energy: -777.795307 where: bonds (distance) C4'-P energy: -150.235 bonds (distance) P-C4' energy: -147.894 flat angles C4'-P-C4' energy: -172.706 flat angles P-C4'-P energy: -120.796 tors. eta vs tors. theta energy: -186.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -2384.707902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.707902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.707902 (E_RNA) where: Base-Base interactions energy: -1589.571 where: short stacking energy: -704.034 Base-Backbone interact. energy: -3.237 local terms energy: -791.899199 where: bonds (distance) C4'-P energy: -162.944 bonds (distance) P-C4' energy: -165.115 flat angles C4'-P-C4' energy: -173.472 flat angles P-C4'-P energy: -115.953 tors. eta vs tors. theta energy: -174.416 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: 9 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1958.425545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.425545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.425545 (E_RNA) where: Base-Base interactions energy: -1249.619 where: short stacking energy: -554.342 Base-Backbone interact. energy: 1.561 local terms energy: -710.367639 where: bonds (distance) C4'-P energy: -160.057 bonds (distance) P-C4' energy: -162.998 flat angles C4'-P-C4' energy: -174.441 flat angles P-C4'-P energy: -101.995 tors. eta vs tors. theta energy: -110.877 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: 1 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1853.713335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.713335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.713335 (E_RNA) where: Base-Base interactions energy: -1204.034 where: short stacking energy: -510.578 Base-Backbone interact. energy: 1.337 local terms energy: -651.016408 where: bonds (distance) C4'-P energy: -140.344 bonds (distance) P-C4' energy: -168.122 flat angles C4'-P-C4' energy: -156.610 flat angles P-C4'-P energy: -86.665 tors. eta vs tors. theta energy: -99.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -1236.495381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.495381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.495381 (E_RNA) where: Base-Base interactions energy: -697.060 where: short stacking energy: -352.965 Base-Backbone interact. energy: 3.022 local terms energy: -542.457238 where: bonds (distance) C4'-P energy: -129.283 bonds (distance) P-C4' energy: -158.153 flat angles C4'-P-C4' energy: -138.554 flat angles P-C4'-P energy: -79.793 tors. eta vs tors. theta energy: -36.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -977.713414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.713414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.713414 (E_RNA) where: Base-Base interactions energy: -512.603 where: short stacking energy: -274.197 Base-Backbone interact. energy: 0.469 local terms energy: -465.579038 where: bonds (distance) C4'-P energy: -130.952 bonds (distance) P-C4' energy: -154.029 flat angles C4'-P-C4' energy: -113.077 flat angles P-C4'-P energy: -57.348 tors. eta vs tors. theta energy: -10.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -3122.675164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.675164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.675164 (E_RNA) where: Base-Base interactions energy: -2174.325 where: short stacking energy: -931.701 Base-Backbone interact. energy: -5.485 local terms energy: -942.865452 where: bonds (distance) C4'-P energy: -178.971 bonds (distance) P-C4' energy: -176.766 flat angles C4'-P-C4' energy: -207.949 flat angles P-C4'-P energy: -113.784 tors. eta vs tors. theta energy: -265.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -2974.960641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.960641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.960641 (E_RNA) where: Base-Base interactions energy: -2053.586 where: short stacking energy: -881.018 Base-Backbone interact. energy: 1.744 local terms energy: -923.118738 where: bonds (distance) C4'-P energy: -161.679 bonds (distance) P-C4' energy: -182.226 flat angles C4'-P-C4' energy: -196.184 flat angles P-C4'-P energy: -139.062 tors. eta vs tors. theta energy: -243.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -2716.698069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.698069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.698069 (E_RNA) where: Base-Base interactions energy: -1864.928 where: short stacking energy: -826.986 Base-Backbone interact. energy: -2.560 local terms energy: -849.209936 where: bonds (distance) C4'-P energy: -161.883 bonds (distance) P-C4' energy: -179.507 flat angles C4'-P-C4' energy: -174.814 flat angles P-C4'-P energy: -118.899 tors. eta vs tors. theta energy: -214.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -2563.888799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.888799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.888799 (E_RNA) where: Base-Base interactions energy: -1745.074 where: short stacking energy: -781.459 Base-Backbone interact. energy: -5.950 local terms energy: -812.865216 where: bonds (distance) C4'-P energy: -153.222 bonds (distance) P-C4' energy: -160.768 flat angles C4'-P-C4' energy: -184.663 flat angles P-C4'-P energy: -127.532 tors. eta vs tors. theta energy: -186.681 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: 6 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -2430.975184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.975184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.975184 (E_RNA) where: Base-Base interactions energy: -1613.399 where: short stacking energy: -723.370 Base-Backbone interact. energy: -4.189 local terms energy: -813.386804 where: bonds (distance) C4'-P energy: -158.129 bonds (distance) P-C4' energy: -164.313 flat angles C4'-P-C4' energy: -183.389 flat angles P-C4'-P energy: -122.625 tors. eta vs tors. theta energy: -184.930 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: 91 Temperature: 1.150000 Total energy: -2437.148170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.148170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.148170 (E_RNA) where: Base-Base interactions energy: -1664.908 where: short stacking energy: -724.270 Base-Backbone interact. energy: -3.954 local terms energy: -768.285591 where: bonds (distance) C4'-P energy: -139.360 bonds (distance) P-C4' energy: -163.931 flat angles C4'-P-C4' energy: -174.044 flat angles P-C4'-P energy: -105.440 tors. eta vs tors. theta energy: -185.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1980.707840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.707840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.707840 (E_RNA) where: Base-Base interactions energy: -1323.278 where: short stacking energy: -587.587 Base-Backbone interact. energy: 1.820 local terms energy: -659.249789 where: bonds (distance) C4'-P energy: -154.342 bonds (distance) P-C4' energy: -132.181 flat angles C4'-P-C4' energy: -144.007 flat angles P-C4'-P energy: -100.219 tors. eta vs tors. theta energy: -128.501 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: 1 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1813.509176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.509176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.509176 (E_RNA) where: Base-Base interactions energy: -1170.533 where: short stacking energy: -539.367 Base-Backbone interact. energy: -1.402 local terms energy: -641.573671 where: bonds (distance) C4'-P energy: -140.968 bonds (distance) P-C4' energy: -147.417 flat angles C4'-P-C4' energy: -128.647 flat angles P-C4'-P energy: -111.192 tors. eta vs tors. theta energy: -113.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -1230.628956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.628956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.628956 (E_RNA) where: Base-Base interactions energy: -718.240 where: short stacking energy: -365.264 Base-Backbone interact. energy: 10.447 local terms energy: -522.836172 where: bonds (distance) C4'-P energy: -149.600 bonds (distance) P-C4' energy: -123.480 flat angles C4'-P-C4' energy: -144.494 flat angles P-C4'-P energy: -74.811 tors. eta vs tors. theta energy: -30.451 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: 5 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -1013.667959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.667959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.667959 (E_RNA) where: Base-Base interactions energy: -538.076 where: short stacking energy: -306.638 Base-Backbone interact. energy: 8.786 local terms energy: -484.377975 where: bonds (distance) C4'-P energy: -152.092 bonds (distance) P-C4' energy: -145.365 flat angles C4'-P-C4' energy: -100.805 flat angles P-C4'-P energy: -71.669 tors. eta vs tors. theta energy: -14.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -3109.554462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.554462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.554462 (E_RNA) where: Base-Base interactions energy: -2115.602 where: short stacking energy: -904.924 Base-Backbone interact. energy: -1.893 local terms energy: -992.059728 where: bonds (distance) C4'-P energy: -188.619 bonds (distance) P-C4' energy: -185.493 flat angles C4'-P-C4' energy: -206.388 flat angles P-C4'-P energy: -154.282 tors. eta vs tors. theta energy: -257.277 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: 4 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -3016.349057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.349057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.349057 (E_RNA) where: Base-Base interactions energy: -2082.070 where: short stacking energy: -879.060 Base-Backbone interact. energy: -6.061 local terms energy: -928.218493 where: bonds (distance) C4'-P energy: -171.347 bonds (distance) P-C4' energy: -173.981 flat angles C4'-P-C4' energy: -207.796 flat angles P-C4'-P energy: -120.776 tors. eta vs tors. theta energy: -254.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -2758.229314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.229314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.229314 (E_RNA) where: Base-Base interactions energy: -1864.557 where: short stacking energy: -855.093 Base-Backbone interact. energy: -3.781 local terms energy: -889.890452 where: bonds (distance) C4'-P energy: -164.436 bonds (distance) P-C4' energy: -182.515 flat angles C4'-P-C4' energy: -193.729 flat angles P-C4'-P energy: -117.236 tors. eta vs tors. theta energy: -231.974 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: 10 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -2636.702701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.702701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.702701 (E_RNA) where: Base-Base interactions energy: -1793.140 where: short stacking energy: -763.167 Base-Backbone interact. energy: 1.882 local terms energy: -845.445040 where: bonds (distance) C4'-P energy: -173.680 bonds (distance) P-C4' energy: -162.839 flat angles C4'-P-C4' energy: -180.435 flat angles P-C4'-P energy: -123.595 tors. eta vs tors. theta energy: -204.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -2487.662851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.662851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.662851 (E_RNA) where: Base-Base interactions energy: -1700.216 where: short stacking energy: -749.340 Base-Backbone interact. energy: -1.266 local terms energy: -786.180732 where: bonds (distance) C4'-P energy: -152.955 bonds (distance) P-C4' energy: -151.019 flat angles C4'-P-C4' energy: -181.939 flat angles P-C4'-P energy: -115.341 tors. eta vs tors. theta energy: -184.927 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: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -2391.806507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.806507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.806507 (E_RNA) where: Base-Base interactions energy: -1656.871 where: short stacking energy: -717.815 Base-Backbone interact. energy: 5.836 local terms energy: -740.770862 where: bonds (distance) C4'-P energy: -160.770 bonds (distance) P-C4' energy: -151.628 flat angles C4'-P-C4' energy: -156.701 flat angles P-C4'-P energy: -104.694 tors. eta vs tors. theta energy: -166.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1999.848042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.848042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.848042 (E_RNA) where: Base-Base interactions energy: -1329.116 where: short stacking energy: -590.725 Base-Backbone interact. energy: -4.054 local terms energy: -666.677482 where: bonds (distance) C4'-P energy: -141.070 bonds (distance) P-C4' energy: -160.597 flat angles C4'-P-C4' energy: -172.620 flat angles P-C4'-P energy: -87.013 tors. eta vs tors. theta energy: -105.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1782.149321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.149321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.149321 (E_RNA) where: Base-Base interactions energy: -1151.581 where: short stacking energy: -516.860 Base-Backbone interact. energy: -0.008 local terms energy: -630.560450 where: bonds (distance) C4'-P energy: -135.450 bonds (distance) P-C4' energy: -150.916 flat angles C4'-P-C4' energy: -157.135 flat angles P-C4'-P energy: -91.610 tors. eta vs tors. theta energy: -95.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -1280.050157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.050157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.050157 (E_RNA) where: Base-Base interactions energy: -726.762 where: short stacking energy: -400.199 Base-Backbone interact. energy: 1.719 local terms energy: -555.007662 where: bonds (distance) C4'-P energy: -116.002 bonds (distance) P-C4' energy: -150.990 flat angles C4'-P-C4' energy: -132.131 flat angles P-C4'-P energy: -104.062 tors. eta vs tors. theta energy: -51.823 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: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -1049.913293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.913293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.913293 (E_RNA) where: Base-Base interactions energy: -595.264 where: short stacking energy: -285.622 Base-Backbone interact. energy: 4.823 local terms energy: -459.472829 where: bonds (distance) C4'-P energy: -140.670 bonds (distance) P-C4' energy: -133.748 flat angles C4'-P-C4' energy: -140.488 flat angles P-C4'-P energy: -53.679 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: 1, replica: 7 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -3136.183719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.183719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.183719 (E_RNA) where: Base-Base interactions energy: -2150.037 where: short stacking energy: -925.377 Base-Backbone interact. energy: -5.384 local terms energy: -980.763501 where: bonds (distance) C4'-P energy: -184.473 bonds (distance) P-C4' energy: -183.736 flat angles C4'-P-C4' energy: -213.341 flat angles P-C4'-P energy: -131.406 tors. eta vs tors. theta energy: -267.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -3009.531193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.531193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.531193 (E_RNA) where: Base-Base interactions energy: -2089.155 where: short stacking energy: -881.080 Base-Backbone interact. energy: -2.132 local terms energy: -918.244183 where: bonds (distance) C4'-P energy: -179.069 bonds (distance) P-C4' energy: -168.618 flat angles C4'-P-C4' energy: -191.590 flat angles P-C4'-P energy: -122.393 tors. eta vs tors. theta energy: -256.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -2717.814043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.814043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.814043 (E_RNA) where: Base-Base interactions energy: -1849.016 where: short stacking energy: -822.205 Base-Backbone interact. energy: -0.568 local terms energy: -868.229270 where: bonds (distance) C4'-P energy: -163.571 bonds (distance) P-C4' energy: -167.128 flat angles C4'-P-C4' energy: -193.715 flat angles P-C4'-P energy: -128.230 tors. eta vs tors. theta energy: -215.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -2587.092307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.092307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.092307 (E_RNA) where: Base-Base interactions energy: -1740.977 where: short stacking energy: -754.960 Base-Backbone interact. energy: -1.511 local terms energy: -844.604619 where: bonds (distance) C4'-P energy: -171.516 bonds (distance) P-C4' energy: -168.331 flat angles C4'-P-C4' energy: -172.465 flat angles P-C4'-P energy: -115.599 tors. eta vs tors. theta energy: -216.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -2497.861181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.861181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.861181 (E_RNA) where: Base-Base interactions energy: -1686.488 where: short stacking energy: -766.218 Base-Backbone interact. energy: -1.100 local terms energy: -810.273241 where: bonds (distance) C4'-P energy: -153.429 bonds (distance) P-C4' energy: -168.060 flat angles C4'-P-C4' energy: -178.527 flat angles P-C4'-P energy: -112.072 tors. eta vs tors. theta energy: -198.185 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: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -2391.409992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.409992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.409992 (E_RNA) where: Base-Base interactions energy: -1640.124 where: short stacking energy: -691.984 Base-Backbone interact. energy: 2.788 local terms energy: -754.073979 where: bonds (distance) C4'-P energy: -153.604 bonds (distance) P-C4' energy: -143.004 flat angles C4'-P-C4' energy: -174.373 flat angles P-C4'-P energy: -102.623 tors. eta vs tors. theta energy: -180.470 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: 9 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -2066.088548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.088548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.088548 (E_RNA) where: Base-Base interactions energy: -1379.159 where: short stacking energy: -611.978 Base-Backbone interact. energy: -5.358 local terms energy: -681.571944 where: bonds (distance) C4'-P energy: -135.551 bonds (distance) P-C4' energy: -161.918 flat angles C4'-P-C4' energy: -168.042 flat angles P-C4'-P energy: -97.250 tors. eta vs tors. theta energy: -118.810 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: 1 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -1829.362823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.362823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.362823 (E_RNA) where: Base-Base interactions energy: -1175.380 where: short stacking energy: -538.083 Base-Backbone interact. energy: -4.206 local terms energy: -649.776623 where: bonds (distance) C4'-P energy: -146.754 bonds (distance) P-C4' energy: -161.095 flat angles C4'-P-C4' energy: -134.187 flat angles P-C4'-P energy: -97.805 tors. eta vs tors. theta energy: -109.936 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: 3 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -1276.675826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.675826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.675826 (E_RNA) where: Base-Base interactions energy: -707.826 where: short stacking energy: -387.213 Base-Backbone interact. energy: 4.096 local terms energy: -572.945865 where: bonds (distance) C4'-P energy: -152.020 bonds (distance) P-C4' energy: -136.307 flat angles C4'-P-C4' energy: -136.754 flat angles P-C4'-P energy: -91.391 tors. eta vs tors. theta energy: -56.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -1100.817278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.817278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.817278 (E_RNA) where: Base-Base interactions energy: -635.483 where: short stacking energy: -321.630 Base-Backbone interact. energy: 1.444 local terms energy: -466.777790 where: bonds (distance) C4'-P energy: -128.465 bonds (distance) P-C4' energy: -147.044 flat angles C4'-P-C4' energy: -109.239 flat angles P-C4'-P energy: -82.885 tors. eta vs tors. theta energy: 0.855 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: 7 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -3136.220186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3136.220186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3136.220186 (E_RNA) where: Base-Base interactions energy: -2175.915 where: short stacking energy: -919.104 Base-Backbone interact. energy: -2.321 local terms energy: -957.984882 where: bonds (distance) C4'-P energy: -179.987 bonds (distance) P-C4' energy: -173.438 flat angles C4'-P-C4' energy: -207.581 flat angles P-C4'-P energy: -141.298 tors. eta vs tors. theta energy: -255.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -2982.389648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.389648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.389648 (E_RNA) where: Base-Base interactions energy: -2073.055 where: short stacking energy: -850.000 Base-Backbone interact. energy: -5.226 local terms energy: -904.108857 where: bonds (distance) C4'-P energy: -183.476 bonds (distance) P-C4' energy: -168.904 flat angles C4'-P-C4' energy: -189.973 flat angles P-C4'-P energy: -123.927 tors. eta vs tors. theta energy: -237.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -2698.361200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.361200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.361200 (E_RNA) where: Base-Base interactions energy: -1820.365 where: short stacking energy: -820.828 Base-Backbone interact. energy: -2.635 local terms energy: -875.361055 where: bonds (distance) C4'-P energy: -167.284 bonds (distance) P-C4' energy: -177.738 flat angles C4'-P-C4' energy: -185.373 flat angles P-C4'-P energy: -120.712 tors. eta vs tors. theta energy: -224.255 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: 10 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -2591.229873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.229873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.229873 (E_RNA) where: Base-Base interactions energy: -1759.848 where: short stacking energy: -767.977 Base-Backbone interact. energy: -3.466 local terms energy: -827.916045 where: bonds (distance) C4'-P energy: -147.396 bonds (distance) P-C4' energy: -154.310 flat angles C4'-P-C4' energy: -194.881 flat angles P-C4'-P energy: -126.523 tors. eta vs tors. theta energy: -204.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -2463.355495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.355495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.355495 (E_RNA) where: Base-Base interactions energy: -1678.116 where: short stacking energy: -767.263 Base-Backbone interact. energy: -0.891 local terms energy: -784.348604 where: bonds (distance) C4'-P energy: -171.145 bonds (distance) P-C4' energy: -154.842 flat angles C4'-P-C4' energy: -175.516 flat angles P-C4'-P energy: -82.210 tors. eta vs tors. theta energy: -200.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -2420.668758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.668758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.668758 (E_RNA) where: Base-Base interactions energy: -1633.394 where: short stacking energy: -699.737 Base-Backbone interact. energy: 3.500 local terms energy: -790.774769 where: bonds (distance) C4'-P energy: -158.882 bonds (distance) P-C4' energy: -186.007 flat angles C4'-P-C4' energy: -161.094 flat angles P-C4'-P energy: -103.674 tors. eta vs tors. theta energy: -181.117 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: 9 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -2052.788900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.788900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.788900 (E_RNA) where: Base-Base interactions energy: -1335.013 where: short stacking energy: -598.842 Base-Backbone interact. energy: 0.289 local terms energy: -718.064997 where: bonds (distance) C4'-P energy: -154.648 bonds (distance) P-C4' energy: -158.337 flat angles C4'-P-C4' energy: -176.935 flat angles P-C4'-P energy: -93.081 tors. eta vs tors. theta energy: -135.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -1729.117367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.117367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.117367 (E_RNA) where: Base-Base interactions energy: -1092.824 where: short stacking energy: -531.015 Base-Backbone interact. energy: 0.385 local terms energy: -636.678777 where: bonds (distance) C4'-P energy: -137.692 bonds (distance) P-C4' energy: -150.380 flat angles C4'-P-C4' energy: -140.635 flat angles P-C4'-P energy: -109.277 tors. eta vs tors. theta energy: -98.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -1366.069473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.069473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.069473 (E_RNA) where: Base-Base interactions energy: -799.805 where: short stacking energy: -409.193 Base-Backbone interact. energy: 2.141 local terms energy: -568.405084 where: bonds (distance) C4'-P energy: -146.607 bonds (distance) P-C4' energy: -133.608 flat angles C4'-P-C4' energy: -128.559 flat angles P-C4'-P energy: -104.523 tors. eta vs tors. theta energy: -55.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -1082.903680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.903680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.903680 (E_RNA) where: Base-Base interactions energy: -620.228 where: short stacking energy: -311.322 Base-Backbone interact. energy: 1.936 local terms energy: -464.611352 where: bonds (distance) C4'-P energy: -125.598 bonds (distance) P-C4' energy: -144.945 flat angles C4'-P-C4' energy: -124.030 flat angles P-C4'-P energy: -89.940 tors. eta vs tors. theta energy: 19.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -3119.631484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.631484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.631484 (E_RNA) where: Base-Base interactions energy: -2143.059 where: short stacking energy: -895.338 Base-Backbone interact. energy: -2.626 local terms energy: -973.945938 where: bonds (distance) C4'-P energy: -178.401 bonds (distance) P-C4' energy: -183.924 flat angles C4'-P-C4' energy: -200.541 flat angles P-C4'-P energy: -143.444 tors. eta vs tors. theta energy: -267.636 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: 4 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -2965.313388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.313388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.313388 (E_RNA) where: Base-Base interactions energy: -2008.147 where: short stacking energy: -839.786 Base-Backbone interact. energy: -7.224 local terms energy: -949.942174 where: bonds (distance) C4'-P energy: -166.337 bonds (distance) P-C4' energy: -179.974 flat angles C4'-P-C4' energy: -201.629 flat angles P-C4'-P energy: -144.564 tors. eta vs tors. theta energy: -257.438 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: 3, replica: 2 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -2704.302003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.302003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.302003 (E_RNA) where: Base-Base interactions energy: -1807.365 where: short stacking energy: -822.482 Base-Backbone interact. energy: 1.056 local terms energy: -897.993828 where: bonds (distance) C4'-P energy: -189.002 bonds (distance) P-C4' energy: -178.610 flat angles C4'-P-C4' energy: -181.365 flat angles P-C4'-P energy: -124.761 tors. eta vs tors. theta energy: -224.256 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: 10 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -2634.478256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.478256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.478256 (E_RNA) where: Base-Base interactions energy: -1792.452 where: short stacking energy: -775.376 Base-Backbone interact. energy: -3.252 local terms energy: -838.773813 where: bonds (distance) C4'-P energy: -164.924 bonds (distance) P-C4' energy: -162.495 flat angles C4'-P-C4' energy: -194.689 flat angles P-C4'-P energy: -115.161 tors. eta vs tors. theta energy: -201.505 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: 6 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -2511.698397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.698397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.698397 (E_RNA) where: Base-Base interactions energy: -1685.856 where: short stacking energy: -758.278 Base-Backbone interact. energy: 1.299 local terms energy: -827.141270 where: bonds (distance) C4'-P energy: -157.003 bonds (distance) P-C4' energy: -174.683 flat angles C4'-P-C4' energy: -164.149 flat angles P-C4'-P energy: -114.754 tors. eta vs tors. theta energy: -216.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -2473.984871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.984871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.984871 (E_RNA) where: Base-Base interactions energy: -1718.091 where: short stacking energy: -765.235 Base-Backbone interact. energy: 3.356 local terms energy: -759.250377 where: bonds (distance) C4'-P energy: -159.925 bonds (distance) P-C4' energy: -152.825 flat angles C4'-P-C4' energy: -160.232 flat angles P-C4'-P energy: -98.408 tors. eta vs tors. theta energy: -187.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -2000.625267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.625267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.625267 (E_RNA) where: Base-Base interactions energy: -1313.320 where: short stacking energy: -549.707 Base-Backbone interact. energy: -4.505 local terms energy: -682.800545 where: bonds (distance) C4'-P energy: -149.917 bonds (distance) P-C4' energy: -170.580 flat angles C4'-P-C4' energy: -149.017 flat angles P-C4'-P energy: -103.581 tors. eta vs tors. theta energy: -109.704 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: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -1851.170212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.170212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.170212 (E_RNA) where: Base-Base interactions energy: -1180.757 where: short stacking energy: -578.505 Base-Backbone interact. energy: 0.066 local terms energy: -670.479885 where: bonds (distance) C4'-P energy: -142.947 bonds (distance) P-C4' energy: -149.357 flat angles C4'-P-C4' energy: -163.987 flat angles P-C4'-P energy: -86.773 tors. eta vs tors. theta energy: -127.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -1407.793345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.793345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.793345 (E_RNA) where: Base-Base interactions energy: -846.681 where: short stacking energy: -408.673 Base-Backbone interact. energy: -4.465 local terms energy: -556.647945 where: bonds (distance) C4'-P energy: -130.132 bonds (distance) P-C4' energy: -149.631 flat angles C4'-P-C4' energy: -148.599 flat angles P-C4'-P energy: -67.969 tors. eta vs tors. theta energy: -60.317 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: 5 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -1027.081459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.081459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.081459 (E_RNA) where: Base-Base interactions energy: -550.899 where: short stacking energy: -282.959 Base-Backbone interact. energy: 2.813 local terms energy: -478.995509 where: bonds (distance) C4'-P energy: -134.345 bonds (distance) P-C4' energy: -157.579 flat angles C4'-P-C4' energy: -112.120 flat angles P-C4'-P energy: -79.345 tors. eta vs tors. theta energy: 4.394 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: 7 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -3125.822889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.822889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.822889 (E_RNA) where: Base-Base interactions energy: -2159.754 where: short stacking energy: -928.731 Base-Backbone interact. energy: -3.729 local terms energy: -962.339940 where: bonds (distance) C4'-P energy: -170.741 bonds (distance) P-C4' energy: -171.170 flat angles C4'-P-C4' energy: -209.962 flat angles P-C4'-P energy: -143.281 tors. eta vs tors. theta energy: -267.186 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: 4 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -2957.662077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.662077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.662077 (E_RNA) where: Base-Base interactions energy: -2011.576 where: short stacking energy: -850.816 Base-Backbone interact. energy: -3.675 local terms energy: -942.410760 where: bonds (distance) C4'-P energy: -182.502 bonds (distance) P-C4' energy: -178.138 flat angles C4'-P-C4' energy: -201.946 flat angles P-C4'-P energy: -127.905 tors. eta vs tors. theta energy: -251.920 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: 3, replica: 2 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -2689.868358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.868358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.868358 (E_RNA) where: Base-Base interactions energy: -1818.942 where: short stacking energy: -837.144 Base-Backbone interact. energy: -1.478 local terms energy: -869.447676 where: bonds (distance) C4'-P energy: -166.868 bonds (distance) P-C4' energy: -172.183 flat angles C4'-P-C4' energy: -200.962 flat angles P-C4'-P energy: -122.475 tors. eta vs tors. theta energy: -206.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -2636.450132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.450132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.450132 (E_RNA) where: Base-Base interactions energy: -1798.898 where: short stacking energy: -785.153 Base-Backbone interact. energy: -0.464 local terms energy: -837.088587 where: bonds (distance) C4'-P energy: -155.625 bonds (distance) P-C4' energy: -162.001 flat angles C4'-P-C4' energy: -179.377 flat angles P-C4'-P energy: -127.772 tors. eta vs tors. theta energy: -212.314 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: 6 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -2483.174219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.174219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.174219 (E_RNA) where: Base-Base interactions energy: -1676.461 where: short stacking energy: -755.697 Base-Backbone interact. energy: 1.325 local terms energy: -808.037825 where: bonds (distance) C4'-P energy: -174.297 bonds (distance) P-C4' energy: -159.343 flat angles C4'-P-C4' energy: -187.377 flat angles P-C4'-P energy: -97.344 tors. eta vs tors. theta energy: -189.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -2413.069480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2413.069480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2413.069480 (E_RNA) where: Base-Base interactions energy: -1645.439 where: short stacking energy: -709.547 Base-Backbone interact. energy: -1.375 local terms energy: -766.255463 where: bonds (distance) C4'-P energy: -156.103 bonds (distance) P-C4' energy: -146.021 flat angles C4'-P-C4' energy: -168.909 flat angles P-C4'-P energy: -109.780 tors. eta vs tors. theta energy: -185.443 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: 9 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -2038.577112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.577112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.577112 (E_RNA) where: Base-Base interactions energy: -1396.857 where: short stacking energy: -618.119 Base-Backbone interact. energy: -1.809 local terms energy: -639.911813 where: bonds (distance) C4'-P energy: -137.908 bonds (distance) P-C4' energy: -133.578 flat angles C4'-P-C4' energy: -145.485 flat angles P-C4'-P energy: -84.294 tors. eta vs tors. theta energy: -138.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -1906.221192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.221192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.221192 (E_RNA) where: Base-Base interactions energy: -1224.583 where: short stacking energy: -573.307 Base-Backbone interact. energy: -1.265 local terms energy: -680.373108 where: bonds (distance) C4'-P energy: -165.279 bonds (distance) P-C4' energy: -158.191 flat angles C4'-P-C4' energy: -167.424 flat angles P-C4'-P energy: -85.144 tors. eta vs tors. theta energy: -104.336 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: 3 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -1308.925083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.925083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.925083 (E_RNA) where: Base-Base interactions energy: -729.495 where: short stacking energy: -376.808 Base-Backbone interact. energy: -1.481 local terms energy: -577.948572 where: bonds (distance) C4'-P energy: -151.556 bonds (distance) P-C4' energy: -155.653 flat angles C4'-P-C4' energy: -147.341 flat angles P-C4'-P energy: -85.983 tors. eta vs tors. theta energy: -37.417 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: 5 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -1026.070226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.070226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.070226 (E_RNA) where: Base-Base interactions energy: -550.655 where: short stacking energy: -291.589 Base-Backbone interact. energy: 3.772 local terms energy: -479.187598 where: bonds (distance) C4'-P energy: -133.201 bonds (distance) P-C4' energy: -138.436 flat angles C4'-P-C4' energy: -120.479 flat angles P-C4'-P energy: -78.080 tors. eta vs tors. theta energy: -8.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -3128.990272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.990272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.990272 (E_RNA) where: Base-Base interactions energy: -2165.007 where: short stacking energy: -917.258 Base-Backbone interact. energy: -2.954 local terms energy: -961.029408 where: bonds (distance) C4'-P energy: -192.708 bonds (distance) P-C4' energy: -172.132 flat angles C4'-P-C4' energy: -202.296 flat angles P-C4'-P energy: -128.660 tors. eta vs tors. theta energy: -265.234 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: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -2976.292417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.292417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.292417 (E_RNA) where: Base-Base interactions energy: -2040.652 where: short stacking energy: -851.046 Base-Backbone interact. energy: -3.727 local terms energy: -931.913459 where: bonds (distance) C4'-P energy: -172.789 bonds (distance) P-C4' energy: -180.377 flat angles C4'-P-C4' energy: -203.115 flat angles P-C4'-P energy: -126.425 tors. eta vs tors. theta energy: -249.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -2696.938335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.938335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.938335 (E_RNA) where: Base-Base interactions energy: -1808.861 where: short stacking energy: -817.139 Base-Backbone interact. energy: -4.283 local terms energy: -883.793776 where: bonds (distance) C4'-P energy: -170.804 bonds (distance) P-C4' energy: -172.856 flat angles C4'-P-C4' energy: -183.429 flat angles P-C4'-P energy: -131.854 tors. eta vs tors. theta energy: -224.850 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: 10 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -2635.460037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2635.460037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2635.460037 (E_RNA) where: Base-Base interactions energy: -1798.496 where: short stacking energy: -797.274 Base-Backbone interact. energy: -0.465 local terms energy: -836.499054 where: bonds (distance) C4'-P energy: -161.526 bonds (distance) P-C4' energy: -176.607 flat angles C4'-P-C4' energy: -167.889 flat angles P-C4'-P energy: -121.532 tors. eta vs tors. theta energy: -208.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -2491.583145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.583145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.583145 (E_RNA) where: Base-Base interactions energy: -1670.284 where: short stacking energy: -735.954 Base-Backbone interact. energy: -0.183 local terms energy: -821.115978 where: bonds (distance) C4'-P energy: -150.875 bonds (distance) P-C4' energy: -161.930 flat angles C4'-P-C4' energy: -179.783 flat angles P-C4'-P energy: -131.957 tors. eta vs tors. theta energy: -196.571 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: 97 Temperature: 1.150000 Total energy: -2448.632853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.632853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.632853 (E_RNA) where: Base-Base interactions energy: -1677.197 where: short stacking energy: -725.886 Base-Backbone interact. energy: 0.237 local terms energy: -771.672928 where: bonds (distance) C4'-P energy: -156.265 bonds (distance) P-C4' energy: -165.941 flat angles C4'-P-C4' energy: -173.712 flat angles P-C4'-P energy: -97.172 tors. eta vs tors. theta energy: -178.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -2073.247520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.247520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.247520 (E_RNA) where: Base-Base interactions energy: -1358.727 where: short stacking energy: -600.788 Base-Backbone interact. energy: 2.151 local terms energy: -716.671316 where: bonds (distance) C4'-P energy: -159.910 bonds (distance) P-C4' energy: -155.293 flat angles C4'-P-C4' energy: -178.281 flat angles P-C4'-P energy: -89.153 tors. eta vs tors. theta energy: -134.035 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: 1 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -1830.314660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.314660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.314660 (E_RNA) where: Base-Base interactions energy: -1196.965 where: short stacking energy: -535.063 Base-Backbone interact. energy: 2.347 local terms energy: -635.697213 where: bonds (distance) C4'-P energy: -163.060 bonds (distance) P-C4' energy: -146.946 flat angles C4'-P-C4' energy: -143.229 flat angles P-C4'-P energy: -86.313 tors. eta vs tors. theta energy: -96.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -1354.321385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.321385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.321385 (E_RNA) where: Base-Base interactions energy: -773.602 where: short stacking energy: -412.511 Base-Backbone interact. energy: 6.023 local terms energy: -586.742562 where: bonds (distance) C4'-P energy: -146.121 bonds (distance) P-C4' energy: -155.869 flat angles C4'-P-C4' energy: -157.976 flat angles P-C4'-P energy: -70.958 tors. eta vs tors. theta energy: -55.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -993.802993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.802993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.802993 (E_RNA) where: Base-Base interactions energy: -544.129 where: short stacking energy: -311.118 Base-Backbone interact. energy: 1.474 local terms energy: -451.147156 where: bonds (distance) C4'-P energy: -148.867 bonds (distance) P-C4' energy: -143.861 flat angles C4'-P-C4' energy: -85.329 flat angles P-C4'-P energy: -65.062 tors. eta vs tors. theta energy: -8.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -3162.217787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3162.217787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3162.217787 (E_RNA) where: Base-Base interactions energy: -2190.164 where: short stacking energy: -930.353 Base-Backbone interact. energy: -2.773 local terms energy: -969.280490 where: bonds (distance) C4'-P energy: -184.533 bonds (distance) P-C4' energy: -177.183 flat angles C4'-P-C4' energy: -214.804 flat angles P-C4'-P energy: -128.691 tors. eta vs tors. theta energy: -264.069 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: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -2963.855938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.855938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.855938 (E_RNA) where: Base-Base interactions energy: -2053.410 where: short stacking energy: -838.622 Base-Backbone interact. energy: -3.905 local terms energy: -906.540973 where: bonds (distance) C4'-P energy: -175.998 bonds (distance) P-C4' energy: -170.771 flat angles C4'-P-C4' energy: -199.406 flat angles P-C4'-P energy: -125.147 tors. eta vs tors. theta energy: -235.219 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: 3, replica: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -2706.545974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.545974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.545974 (E_RNA) where: Base-Base interactions energy: -1822.760 where: short stacking energy: -813.898 Base-Backbone interact. energy: -4.859 local terms energy: -878.927051 where: bonds (distance) C4'-P energy: -161.493 bonds (distance) P-C4' energy: -172.469 flat angles C4'-P-C4' energy: -189.104 flat angles P-C4'-P energy: -134.491 tors. eta vs tors. theta energy: -221.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -2676.996361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.996361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.996361 (E_RNA) where: Base-Base interactions energy: -1839.853 where: short stacking energy: -777.052 Base-Backbone interact. energy: -3.053 local terms energy: -834.091162 where: bonds (distance) C4'-P energy: -146.070 bonds (distance) P-C4' energy: -154.156 flat angles C4'-P-C4' energy: -192.328 flat angles P-C4'-P energy: -124.527 tors. eta vs tors. theta energy: -217.011 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: 98 Temperature: 1.100000 Total energy: -2575.377020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.377020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.377020 (E_RNA) where: Base-Base interactions energy: -1738.170 where: short stacking energy: -773.328 Base-Backbone interact. energy: 1.160 local terms energy: -838.367301 where: bonds (distance) C4'-P energy: -162.805 bonds (distance) P-C4' energy: -176.711 flat angles C4'-P-C4' energy: -167.249 flat angles P-C4'-P energy: -120.489 tors. eta vs tors. theta energy: -211.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -2376.217307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2376.217307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2376.217307 (E_RNA) where: Base-Base interactions energy: -1582.282 where: short stacking energy: -697.966 Base-Backbone interact. energy: 1.108 local terms energy: -795.043442 where: bonds (distance) C4'-P energy: -149.140 bonds (distance) P-C4' energy: -168.908 flat angles C4'-P-C4' energy: -173.207 flat angles P-C4'-P energy: -104.485 tors. eta vs tors. theta energy: -199.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -2060.302265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.302265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.302265 (E_RNA) where: Base-Base interactions energy: -1362.906 where: short stacking energy: -624.125 Base-Backbone interact. energy: 1.774 local terms energy: -699.170459 where: bonds (distance) C4'-P energy: -147.610 bonds (distance) P-C4' energy: -155.793 flat angles C4'-P-C4' energy: -176.152 flat angles P-C4'-P energy: -90.359 tors. eta vs tors. theta energy: -129.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -1843.140242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.140242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.140242 (E_RNA) where: Base-Base interactions energy: -1166.642 where: short stacking energy: -514.748 Base-Backbone interact. energy: -1.555 local terms energy: -674.943505 where: bonds (distance) C4'-P energy: -152.563 bonds (distance) P-C4' energy: -163.482 flat angles C4'-P-C4' energy: -143.377 flat angles P-C4'-P energy: -119.851 tors. eta vs tors. theta energy: -95.670 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: 3 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -1406.423821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.423821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.423821 (E_RNA) where: Base-Base interactions energy: -847.437 where: short stacking energy: -404.040 Base-Backbone interact. energy: -1.305 local terms energy: -557.681679 where: bonds (distance) C4'-P energy: -145.391 bonds (distance) P-C4' energy: -136.098 flat angles C4'-P-C4' energy: -135.442 flat angles P-C4'-P energy: -82.601 tors. eta vs tors. theta energy: -58.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -999.219428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.219428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.219428 (E_RNA) where: Base-Base interactions energy: -518.315 where: short stacking energy: -290.400 Base-Backbone interact. energy: 4.623 local terms energy: -485.527894 where: bonds (distance) C4'-P energy: -136.263 bonds (distance) P-C4' energy: -144.913 flat angles C4'-P-C4' energy: -141.966 flat angles P-C4'-P energy: -55.141 tors. eta vs tors. theta energy: -7.245 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: 7 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -3139.035358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.035358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.035358 (E_RNA) where: Base-Base interactions energy: -2178.513 where: short stacking energy: -938.681 Base-Backbone interact. energy: -0.917 local terms energy: -959.605687 where: bonds (distance) C4'-P energy: -168.761 bonds (distance) P-C4' energy: -182.086 flat angles C4'-P-C4' energy: -207.844 flat angles P-C4'-P energy: -131.072 tors. eta vs tors. theta energy: -269.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -2954.608076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.608076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.608076 (E_RNA) where: Base-Base interactions energy: -2036.378 where: short stacking energy: -838.691 Base-Backbone interact. energy: -3.675 local terms energy: -914.555365 where: bonds (distance) C4'-P energy: -174.153 bonds (distance) P-C4' energy: -181.093 flat angles C4'-P-C4' energy: -193.847 flat angles P-C4'-P energy: -121.657 tors. eta vs tors. theta energy: -243.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -2700.924065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.924065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.924065 (E_RNA) where: Base-Base interactions energy: -1825.265 where: short stacking energy: -836.032 Base-Backbone interact. energy: -4.286 local terms energy: -871.372824 where: bonds (distance) C4'-P energy: -169.922 bonds (distance) P-C4' energy: -170.411 flat angles C4'-P-C4' energy: -180.446 flat angles P-C4'-P energy: -135.867 tors. eta vs tors. theta energy: -214.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -2645.726397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.726397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.726397 (E_RNA) where: Base-Base interactions energy: -1839.821 where: short stacking energy: -782.771 Base-Backbone interact. energy: -1.894 local terms energy: -804.011414 where: bonds (distance) C4'-P energy: -165.763 bonds (distance) P-C4' energy: -148.442 flat angles C4'-P-C4' energy: -187.985 flat angles P-C4'-P energy: -103.085 tors. eta vs tors. theta energy: -198.736 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: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -2642.091675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.091675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.091675 (E_RNA) where: Base-Base interactions energy: -1826.947 where: short stacking energy: -784.807 Base-Backbone interact. energy: -0.302 local terms energy: -814.842631 where: bonds (distance) C4'-P energy: -163.426 bonds (distance) P-C4' energy: -162.635 flat angles C4'-P-C4' energy: -185.232 flat angles P-C4'-P energy: -100.366 tors. eta vs tors. theta energy: -203.183 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: 6 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -2372.118817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.118817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.118817 (E_RNA) where: Base-Base interactions energy: -1613.133 where: short stacking energy: -701.989 Base-Backbone interact. energy: 0.665 local terms energy: -759.651588 where: bonds (distance) C4'-P energy: -144.466 bonds (distance) P-C4' energy: -145.233 flat angles C4'-P-C4' energy: -182.094 flat angles P-C4'-P energy: -97.831 tors. eta vs tors. theta energy: -190.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -2013.917727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.917727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.917727 (E_RNA) where: Base-Base interactions energy: -1315.165 where: short stacking energy: -576.187 Base-Backbone interact. energy: 0.814 local terms energy: -699.566325 where: bonds (distance) C4'-P energy: -143.257 bonds (distance) P-C4' energy: -148.906 flat angles C4'-P-C4' energy: -176.615 flat angles P-C4'-P energy: -104.945 tors. eta vs tors. theta energy: -125.843 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: 1 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -1865.226742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.226742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.226742 (E_RNA) where: Base-Base interactions energy: -1205.638 where: short stacking energy: -544.914 Base-Backbone interact. energy: 4.568 local terms energy: -664.157590 where: bonds (distance) C4'-P energy: -140.211 bonds (distance) P-C4' energy: -159.166 flat angles C4'-P-C4' energy: -170.315 flat angles P-C4'-P energy: -69.468 tors. eta vs tors. theta energy: -124.997 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: 9, replica: 3 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -1430.029356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.029356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.029356 (E_RNA) where: Base-Base interactions energy: -850.696 where: short stacking energy: -425.682 Base-Backbone interact. energy: 0.794 local terms energy: -580.127578 where: bonds (distance) C4'-P energy: -122.758 bonds (distance) P-C4' energy: -138.289 flat angles C4'-P-C4' energy: -156.452 flat angles P-C4'-P energy: -100.901 tors. eta vs tors. theta energy: -61.727 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: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -1050.828184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.828184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.828184 (E_RNA) where: Base-Base interactions energy: -551.828 where: short stacking energy: -322.794 Base-Backbone interact. energy: 5.874 local terms energy: -504.874084 where: bonds (distance) C4'-P energy: -134.550 bonds (distance) P-C4' energy: -154.391 flat angles C4'-P-C4' energy: -126.863 flat angles P-C4'-P energy: -77.795 tors. eta vs tors. theta energy: -11.275 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: 1, replica: 7 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -3166.618654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.618654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.618654 (E_RNA) where: Base-Base interactions energy: -2188.196 where: short stacking energy: -912.053 Base-Backbone interact. energy: -6.788 local terms energy: -971.634956 where: bonds (distance) C4'-P energy: -168.253 bonds (distance) P-C4' energy: -191.576 flat angles C4'-P-C4' energy: -205.000 flat angles P-C4'-P energy: -138.762 tors. eta vs tors. theta energy: -268.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -2974.837096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.837096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.837096 (E_RNA) where: Base-Base interactions energy: -2067.355 where: short stacking energy: -864.099 Base-Backbone interact. energy: -2.027 local terms energy: -905.455505 where: bonds (distance) C4'-P energy: -155.851 bonds (distance) P-C4' energy: -181.893 flat angles C4'-P-C4' energy: -198.726 flat angles P-C4'-P energy: -123.481 tors. eta vs tors. theta energy: -245.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -2704.536936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.536936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.536936 (E_RNA) where: Base-Base interactions energy: -1851.925 where: short stacking energy: -839.282 Base-Backbone interact. energy: -2.929 local terms energy: -849.682244 where: bonds (distance) C4'-P energy: -166.148 bonds (distance) P-C4' energy: -161.697 flat angles C4'-P-C4' energy: -185.865 flat angles P-C4'-P energy: -118.726 tors. eta vs tors. theta energy: -217.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -2673.066017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.066017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.066017 (E_RNA) where: Base-Base interactions energy: -1838.248 where: short stacking energy: -760.603 Base-Backbone interact. energy: 1.065 local terms energy: -835.883122 where: bonds (distance) C4'-P energy: -163.239 bonds (distance) P-C4' energy: -180.158 flat angles C4'-P-C4' energy: -197.429 flat angles P-C4'-P energy: -114.001 tors. eta vs tors. theta energy: -181.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -2580.691825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.691825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.691825 (E_RNA) where: Base-Base interactions energy: -1761.077 where: short stacking energy: -784.859 Base-Backbone interact. energy: -1.212 local terms energy: -818.403567 where: bonds (distance) C4'-P energy: -152.673 bonds (distance) P-C4' energy: -161.918 flat angles C4'-P-C4' energy: -186.270 flat angles P-C4'-P energy: -117.969 tors. eta vs tors. theta energy: -199.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -2370.198510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.198510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.198510 (E_RNA) where: Base-Base interactions energy: -1594.747 where: short stacking energy: -718.920 Base-Backbone interact. energy: -2.032 local terms energy: -773.419454 where: bonds (distance) C4'-P energy: -147.709 bonds (distance) P-C4' energy: -159.412 flat angles C4'-P-C4' energy: -162.909 flat angles P-C4'-P energy: -114.156 tors. eta vs tors. theta energy: -189.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -2018.962014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.962014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.962014 (E_RNA) where: Base-Base interactions energy: -1356.387 where: short stacking energy: -593.626 Base-Backbone interact. energy: -3.981 local terms energy: -658.594644 where: bonds (distance) C4'-P energy: -135.992 bonds (distance) P-C4' energy: -146.612 flat angles C4'-P-C4' energy: -162.844 flat angles P-C4'-P energy: -98.680 tors. eta vs tors. theta energy: -114.467 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: 1 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -1831.515975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.515975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.515975 (E_RNA) where: Base-Base interactions energy: -1169.889 where: short stacking energy: -559.888 Base-Backbone interact. energy: 7.103 local terms energy: -668.729495 where: bonds (distance) C4'-P energy: -154.486 bonds (distance) P-C4' energy: -146.558 flat angles C4'-P-C4' energy: -163.066 flat angles P-C4'-P energy: -103.181 tors. eta vs tors. theta energy: -101.438 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: 9, replica: 3 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -1376.480263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.480263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.480263 (E_RNA) where: Base-Base interactions energy: -787.149 where: short stacking energy: -406.936 Base-Backbone interact. energy: -3.237 local terms energy: -586.094784 where: bonds (distance) C4'-P energy: -140.805 bonds (distance) P-C4' energy: -149.145 flat angles C4'-P-C4' energy: -152.605 flat angles P-C4'-P energy: -92.276 tors. eta vs tors. theta energy: -51.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -1035.096555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.096555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.096555 (E_RNA) where: Base-Base interactions energy: -578.267 where: short stacking energy: -310.720 Base-Backbone interact. energy: 0.739 local terms energy: -457.568736 where: bonds (distance) C4'-P energy: -126.173 bonds (distance) P-C4' energy: -140.730 flat angles C4'-P-C4' energy: -131.319 flat angles P-C4'-P energy: -78.047 tors. eta vs tors. theta energy: 18.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -3164.064002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.064002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.064002 (E_RNA) where: Base-Base interactions energy: -2173.961 where: short stacking energy: -911.656 Base-Backbone interact. energy: -1.048 local terms energy: -989.054969 where: bonds (distance) C4'-P energy: -166.245 bonds (distance) P-C4' energy: -190.944 flat angles C4'-P-C4' energy: -209.179 flat angles P-C4'-P energy: -147.024 tors. eta vs tors. theta energy: -275.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -2942.204433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.204433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.204433 (E_RNA) where: Base-Base interactions energy: -2042.006 where: short stacking energy: -856.849 Base-Backbone interact. energy: -0.520 local terms energy: -899.678733 where: bonds (distance) C4'-P energy: -171.942 bonds (distance) P-C4' energy: -185.659 flat angles C4'-P-C4' energy: -175.652 flat angles P-C4'-P energy: -122.262 tors. eta vs tors. theta energy: -244.164 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: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -2693.862778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.862778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.862778 (E_RNA) where: Base-Base interactions energy: -1825.632 where: short stacking energy: -796.735 Base-Backbone interact. energy: -2.977 local terms energy: -865.253766 where: bonds (distance) C4'-P energy: -155.508 bonds (distance) P-C4' energy: -180.278 flat angles C4'-P-C4' energy: -188.856 flat angles P-C4'-P energy: -123.166 tors. eta vs tors. theta energy: -217.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -2685.057280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.057280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.057280 (E_RNA) where: Base-Base interactions energy: -1831.581 where: short stacking energy: -762.145 Base-Backbone interact. energy: -3.225 local terms energy: -850.251243 where: bonds (distance) C4'-P energy: -171.887 bonds (distance) P-C4' energy: -171.270 flat angles C4'-P-C4' energy: -185.684 flat angles P-C4'-P energy: -113.965 tors. eta vs tors. theta energy: -207.445 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: 5, replica: 10 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -2578.195273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.195273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.195273 (E_RNA) where: Base-Base interactions energy: -1775.910 where: short stacking energy: -764.521 Base-Backbone interact. energy: -1.957 local terms energy: -800.327899 where: bonds (distance) C4'-P energy: -148.184 bonds (distance) P-C4' energy: -165.102 flat angles C4'-P-C4' energy: -188.076 flat angles P-C4'-P energy: -101.889 tors. eta vs tors. theta energy: -197.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -2363.634764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.634764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.634764 (E_RNA) where: Base-Base interactions energy: -1598.091 where: short stacking energy: -688.265 Base-Backbone interact. energy: 1.632 local terms energy: -767.176292 where: bonds (distance) C4'-P energy: -154.309 bonds (distance) P-C4' energy: -160.625 flat angles C4'-P-C4' energy: -182.799 flat angles P-C4'-P energy: -87.575 tors. eta vs tors. theta energy: -181.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -2035.200731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.200731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.200731 (E_RNA) where: Base-Base interactions energy: -1358.377 where: short stacking energy: -573.809 Base-Backbone interact. energy: 1.862 local terms energy: -678.685655 where: bonds (distance) C4'-P energy: -119.211 bonds (distance) P-C4' energy: -168.021 flat angles C4'-P-C4' energy: -161.746 flat angles P-C4'-P energy: -113.294 tors. eta vs tors. theta energy: -116.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -1902.540259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.540259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.540259 (E_RNA) where: Base-Base interactions energy: -1246.481 where: short stacking energy: -558.044 Base-Backbone interact. energy: -2.168 local terms energy: -653.892068 where: bonds (distance) C4'-P energy: -146.182 bonds (distance) P-C4' energy: -152.628 flat angles C4'-P-C4' energy: -146.618 flat angles P-C4'-P energy: -101.525 tors. eta vs tors. theta energy: -106.939 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: 3 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -1422.348051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.348051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.348051 (E_RNA) where: Base-Base interactions energy: -832.261 where: short stacking energy: -415.486 Base-Backbone interact. energy: 1.203 local terms energy: -591.290438 where: bonds (distance) C4'-P energy: -131.509 bonds (distance) P-C4' energy: -141.444 flat angles C4'-P-C4' energy: -151.192 flat angles P-C4'-P energy: -89.478 tors. eta vs tors. theta energy: -77.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -1016.028006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.028006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.028006 (E_RNA) where: Base-Base interactions energy: -520.740 where: short stacking energy: -285.932 Base-Backbone interact. energy: 1.904 local terms energy: -497.192584 where: bonds (distance) C4'-P energy: -156.877 bonds (distance) P-C4' energy: -147.254 flat angles C4'-P-C4' energy: -119.435 flat angles P-C4'-P energy: -80.428 tors. eta vs tors. theta energy: 6.801 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: 7 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -3129.752546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.752546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.752546 (E_RNA) where: Base-Base interactions energy: -2189.559 where: short stacking energy: -942.119 Base-Backbone interact. energy: -5.635 local terms energy: -934.558049 where: bonds (distance) C4'-P energy: -179.058 bonds (distance) P-C4' energy: -173.435 flat angles C4'-P-C4' energy: -198.813 flat angles P-C4'-P energy: -117.916 tors. eta vs tors. theta energy: -265.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -2954.199818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.199818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.199818 (E_RNA) where: Base-Base interactions energy: -2023.618 where: short stacking energy: -833.109 Base-Backbone interact. energy: -3.060 local terms energy: -927.521818 where: bonds (distance) C4'-P energy: -178.501 bonds (distance) P-C4' energy: -180.817 flat angles C4'-P-C4' energy: -184.413 flat angles P-C4'-P energy: -136.602 tors. eta vs tors. theta energy: -247.189 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: 8 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -2870.923264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.923264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.923264 (E_RNA) where: Base-Base interactions energy: -1979.050 where: short stacking energy: -852.976 Base-Backbone interact. energy: 0.012 local terms energy: -891.884486 where: bonds (distance) C4'-P energy: -160.920 bonds (distance) P-C4' energy: -177.892 flat angles C4'-P-C4' energy: -200.515 flat angles P-C4'-P energy: -127.082 tors. eta vs tors. theta energy: -225.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -2646.496456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.496456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.496456 (E_RNA) where: Base-Base interactions energy: -1824.503 where: short stacking energy: -800.588 Base-Backbone interact. energy: -2.849 local terms energy: -819.145006 where: bonds (distance) C4'-P energy: -153.339 bonds (distance) P-C4' energy: -161.872 flat angles C4'-P-C4' energy: -188.599 flat angles P-C4'-P energy: -105.181 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: 10 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -2560.721850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.721850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.721850 (E_RNA) where: Base-Base interactions energy: -1763.861 where: short stacking energy: -726.656 Base-Backbone interact. energy: -5.595 local terms energy: -791.265571 where: bonds (distance) C4'-P energy: -151.073 bonds (distance) P-C4' energy: -165.649 flat angles C4'-P-C4' energy: -174.898 flat angles P-C4'-P energy: -105.353 tors. eta vs tors. theta energy: -194.293 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: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -2374.163544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.163544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.163544 (E_RNA) where: Base-Base interactions energy: -1624.196 where: short stacking energy: -722.312 Base-Backbone interact. energy: 2.778 local terms energy: -752.745806 where: bonds (distance) C4'-P energy: -138.780 bonds (distance) P-C4' energy: -160.709 flat angles C4'-P-C4' energy: -170.580 flat angles P-C4'-P energy: -105.350 tors. eta vs tors. theta energy: -177.327 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: 9 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -2060.965934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.965934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.965934 (E_RNA) where: Base-Base interactions energy: -1370.733 where: short stacking energy: -604.085 Base-Backbone interact. energy: 2.901 local terms energy: -693.134013 where: bonds (distance) C4'-P energy: -150.822 bonds (distance) P-C4' energy: -153.380 flat angles C4'-P-C4' energy: -175.844 flat angles P-C4'-P energy: -82.211 tors. eta vs tors. theta energy: -130.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -1877.701510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.701510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.701510 (E_RNA) where: Base-Base interactions energy: -1232.462 where: short stacking energy: -529.761 Base-Backbone interact. energy: -2.435 local terms energy: -642.803940 where: bonds (distance) C4'-P energy: -124.104 bonds (distance) P-C4' energy: -148.162 flat angles C4'-P-C4' energy: -162.749 flat angles P-C4'-P energy: -96.333 tors. eta vs tors. theta energy: -111.456 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: 3 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -1380.008326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.008326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.008326 (E_RNA) where: Base-Base interactions energy: -813.374 where: short stacking energy: -421.100 Base-Backbone interact. energy: -0.911 local terms energy: -565.723706 where: bonds (distance) C4'-P energy: -146.442 bonds (distance) P-C4' energy: -136.537 flat angles C4'-P-C4' energy: -126.819 flat angles P-C4'-P energy: -97.308 tors. eta vs tors. theta energy: -58.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -1016.560321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.560321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.560321 (E_RNA) where: Base-Base interactions energy: -514.825 where: short stacking energy: -257.905 Base-Backbone interact. energy: 2.314 local terms energy: -504.049955 where: bonds (distance) C4'-P energy: -153.032 bonds (distance) P-C4' energy: -120.097 flat angles C4'-P-C4' energy: -149.137 flat angles P-C4'-P energy: -75.287 tors. eta vs tors. theta energy: -6.498 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: 1, replica: 7 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -3121.256733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.256733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.256733 (E_RNA) where: Base-Base interactions energy: -2157.664 where: short stacking energy: -929.721 Base-Backbone interact. energy: -2.583 local terms energy: -961.009928 where: bonds (distance) C4'-P energy: -182.414 bonds (distance) P-C4' energy: -169.229 flat angles C4'-P-C4' energy: -208.161 flat angles P-C4'-P energy: -133.600 tors. eta vs tors. theta energy: -267.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -2937.972038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.972038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.972038 (E_RNA) where: Base-Base interactions energy: -2032.040 where: short stacking energy: -849.826 Base-Backbone interact. energy: 0.077 local terms energy: -906.009213 where: bonds (distance) C4'-P energy: -172.902 bonds (distance) P-C4' energy: -166.387 flat angles C4'-P-C4' energy: -188.152 flat angles P-C4'-P energy: -140.346 tors. eta vs tors. theta energy: -238.222 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: 8 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -2785.417906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2785.417906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2785.417906 (E_RNA) where: Base-Base interactions energy: -1902.460 where: short stacking energy: -835.952 Base-Backbone interact. energy: -1.596 local terms energy: -881.360955 where: bonds (distance) C4'-P energy: -167.380 bonds (distance) P-C4' energy: -186.289 flat angles C4'-P-C4' energy: -179.957 flat angles P-C4'-P energy: -125.747 tors. eta vs tors. theta energy: -221.988 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: 4, replica: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -2657.129875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.129875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.129875 (E_RNA) where: Base-Base interactions energy: -1791.037 where: short stacking energy: -769.022 Base-Backbone interact. energy: 2.538 local terms energy: -868.630902 where: bonds (distance) C4'-P energy: -173.678 bonds (distance) P-C4' energy: -168.827 flat angles C4'-P-C4' energy: -184.804 flat angles P-C4'-P energy: -124.095 tors. eta vs tors. theta energy: -217.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -2537.908089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.908089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.908089 (E_RNA) where: Base-Base interactions energy: -1726.058 where: short stacking energy: -717.533 Base-Backbone interact. energy: -5.433 local terms energy: -806.417161 where: bonds (distance) C4'-P energy: -164.153 bonds (distance) P-C4' energy: -174.487 flat angles C4'-P-C4' energy: -179.387 flat angles P-C4'-P energy: -90.991 tors. eta vs tors. theta energy: -197.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -2364.700789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.700789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.700789 (E_RNA) where: Base-Base interactions energy: -1576.321 where: short stacking energy: -727.378 Base-Backbone interact. energy: -0.840 local terms energy: -787.540050 where: bonds (distance) C4'-P energy: -168.680 bonds (distance) P-C4' energy: -160.217 flat angles C4'-P-C4' energy: -170.047 flat angles P-C4'-P energy: -85.758 tors. eta vs tors. theta energy: -202.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -2095.247227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.247227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.247227 (E_RNA) where: Base-Base interactions energy: -1399.242 where: short stacking energy: -602.702 Base-Backbone interact. energy: 1.101 local terms energy: -697.105426 where: bonds (distance) C4'-P energy: -144.129 bonds (distance) P-C4' energy: -167.995 flat angles C4'-P-C4' energy: -144.057 flat angles P-C4'-P energy: -103.652 tors. eta vs tors. theta energy: -137.273 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: 1 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -1967.918413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.918413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.918413 (E_RNA) where: Base-Base interactions energy: -1315.426 where: short stacking energy: -557.092 Base-Backbone interact. energy: -3.156 local terms energy: -649.336744 where: bonds (distance) C4'-P energy: -143.476 bonds (distance) P-C4' energy: -149.840 flat angles C4'-P-C4' energy: -155.536 flat angles P-C4'-P energy: -89.334 tors. eta vs tors. theta energy: -111.151 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: 3 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -1443.045986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.045986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.045986 (E_RNA) where: Base-Base interactions energy: -854.082 where: short stacking energy: -412.907 Base-Backbone interact. energy: 0.063 local terms energy: -589.026479 where: bonds (distance) C4'-P energy: -136.715 bonds (distance) P-C4' energy: -140.935 flat angles C4'-P-C4' energy: -156.202 flat angles P-C4'-P energy: -98.224 tors. eta vs tors. theta energy: -56.949 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: 5 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -965.320478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.320478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.320478 (E_RNA) where: Base-Base interactions energy: -466.512 where: short stacking energy: -268.276 Base-Backbone interact. energy: 1.841 local terms energy: -500.649241 where: bonds (distance) C4'-P energy: -131.711 bonds (distance) P-C4' energy: -164.064 flat angles C4'-P-C4' energy: -136.087 flat angles P-C4'-P energy: -67.693 tors. eta vs tors. theta energy: -1.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -3113.713913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.713913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.713913 (E_RNA) where: Base-Base interactions energy: -2168.533 where: short stacking energy: -943.480 Base-Backbone interact. energy: -3.685 local terms energy: -941.495964 where: bonds (distance) C4'-P energy: -181.473 bonds (distance) P-C4' energy: -167.271 flat angles C4'-P-C4' energy: -192.464 flat angles P-C4'-P energy: -129.460 tors. eta vs tors. theta energy: -270.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -2925.683831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.683831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.683831 (E_RNA) where: Base-Base interactions energy: -2060.374 where: short stacking energy: -874.119 Base-Backbone interact. energy: 0.521 local terms energy: -865.830880 where: bonds (distance) C4'-P energy: -160.722 bonds (distance) P-C4' energy: -165.578 flat angles C4'-P-C4' energy: -190.249 flat angles P-C4'-P energy: -117.966 tors. eta vs tors. theta energy: -231.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -2831.451945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.451945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.451945 (E_RNA) where: Base-Base interactions energy: -1931.230 where: short stacking energy: -831.839 Base-Backbone interact. energy: 1.565 local terms energy: -901.787088 where: bonds (distance) C4'-P energy: -173.580 bonds (distance) P-C4' energy: -173.082 flat angles C4'-P-C4' energy: -200.265 flat angles P-C4'-P energy: -130.409 tors. eta vs tors. theta energy: -224.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -2612.923596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.923596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.923596 (E_RNA) where: Base-Base interactions energy: -1767.041 where: short stacking energy: -768.805 Base-Backbone interact. energy: -2.012 local terms energy: -843.869934 where: bonds (distance) C4'-P energy: -150.643 bonds (distance) P-C4' energy: -161.559 flat angles C4'-P-C4' energy: -177.009 flat angles P-C4'-P energy: -130.488 tors. eta vs tors. theta energy: -224.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -2539.702736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.702736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.702736 (E_RNA) where: Base-Base interactions energy: -1761.239 where: short stacking energy: -739.153 Base-Backbone interact. energy: -8.428 local terms energy: -770.035517 where: bonds (distance) C4'-P energy: -160.399 bonds (distance) P-C4' energy: -145.427 flat angles C4'-P-C4' energy: -178.846 flat angles P-C4'-P energy: -104.394 tors. eta vs tors. theta energy: -180.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -2372.677118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.677118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.677118 (E_RNA) where: Base-Base interactions energy: -1589.038 where: short stacking energy: -696.933 Base-Backbone interact. energy: 0.065 local terms energy: -783.704039 where: bonds (distance) C4'-P energy: -164.172 bonds (distance) P-C4' energy: -178.126 flat angles C4'-P-C4' energy: -170.227 flat angles P-C4'-P energy: -102.313 tors. eta vs tors. theta energy: -168.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -2048.939133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.939133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.939133 (E_RNA) where: Base-Base interactions energy: -1338.575 where: short stacking energy: -598.943 Base-Backbone interact. energy: -6.896 local terms energy: -703.468679 where: bonds (distance) C4'-P energy: -156.150 bonds (distance) P-C4' energy: -156.419 flat angles C4'-P-C4' energy: -149.295 flat angles P-C4'-P energy: -100.515 tors. eta vs tors. theta energy: -141.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1947.687127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.687127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.687127 (E_RNA) where: Base-Base interactions energy: -1281.891 where: short stacking energy: -561.242 Base-Backbone interact. energy: -3.543 local terms energy: -662.253367 where: bonds (distance) C4'-P energy: -147.666 bonds (distance) P-C4' energy: -136.110 flat angles C4'-P-C4' energy: -161.098 flat angles P-C4'-P energy: -93.677 tors. eta vs tors. theta energy: -123.702 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: 3 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -1512.796033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.796033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.796033 (E_RNA) where: Base-Base interactions energy: -898.415 where: short stacking energy: -417.371 Base-Backbone interact. energy: 1.558 local terms energy: -615.939080 where: bonds (distance) C4'-P energy: -164.920 bonds (distance) P-C4' energy: -135.491 flat angles C4'-P-C4' energy: -132.801 flat angles P-C4'-P energy: -92.014 tors. eta vs tors. theta energy: -90.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -893.962937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.962937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.962937 (E_RNA) where: Base-Base interactions energy: -426.377 where: short stacking energy: -250.454 Base-Backbone interact. energy: -0.253 local terms energy: -467.332822 where: bonds (distance) C4'-P energy: -152.537 bonds (distance) P-C4' energy: -140.614 flat angles C4'-P-C4' energy: -108.174 flat angles P-C4'-P energy: -82.346 tors. eta vs tors. theta energy: 16.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -3120.252342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.252342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.252342 (E_RNA) where: Base-Base interactions energy: -2150.009 where: short stacking energy: -936.997 Base-Backbone interact. energy: -0.999 local terms energy: -969.244287 where: bonds (distance) C4'-P energy: -182.341 bonds (distance) P-C4' energy: -182.285 flat angles C4'-P-C4' energy: -212.950 flat angles P-C4'-P energy: -118.599 tors. eta vs tors. theta energy: -273.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -2909.118243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.118243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.118243 (E_RNA) where: Base-Base interactions energy: -1980.165 where: short stacking energy: -866.487 Base-Backbone interact. energy: -0.929 local terms energy: -928.023953 where: bonds (distance) C4'-P energy: -191.962 bonds (distance) P-C4' energy: -176.654 flat angles C4'-P-C4' energy: -200.684 flat angles P-C4'-P energy: -112.929 tors. eta vs tors. theta energy: -245.796 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: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -2820.020909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.020909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.020909 (E_RNA) where: Base-Base interactions energy: -1946.983 where: short stacking energy: -829.650 Base-Backbone interact. energy: 1.497 local terms energy: -874.534820 where: bonds (distance) C4'-P energy: -161.221 bonds (distance) P-C4' energy: -161.457 flat angles C4'-P-C4' energy: -202.233 flat angles P-C4'-P energy: -111.884 tors. eta vs tors. theta energy: -237.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -2584.545483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.545483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.545483 (E_RNA) where: Base-Base interactions energy: -1714.959 where: short stacking energy: -741.213 Base-Backbone interact. energy: -0.316 local terms energy: -869.270177 where: bonds (distance) C4'-P energy: -187.432 bonds (distance) P-C4' energy: -177.805 flat angles C4'-P-C4' energy: -185.215 flat angles P-C4'-P energy: -121.688 tors. eta vs tors. theta energy: -197.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -2541.376249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.376249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.376249 (E_RNA) where: Base-Base interactions energy: -1707.174 where: short stacking energy: -747.583 Base-Backbone interact. energy: -1.283 local terms energy: -832.918736 where: bonds (distance) C4'-P energy: -162.931 bonds (distance) P-C4' energy: -159.421 flat angles C4'-P-C4' energy: -194.592 flat angles P-C4'-P energy: -126.154 tors. eta vs tors. theta energy: -189.820 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: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -2246.205526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.205526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.205526 (E_RNA) where: Base-Base interactions energy: -1474.992 where: short stacking energy: -668.200 Base-Backbone interact. energy: -3.617 local terms energy: -767.596830 where: bonds (distance) C4'-P energy: -172.129 bonds (distance) P-C4' energy: -162.819 flat angles C4'-P-C4' energy: -157.792 flat angles P-C4'-P energy: -121.604 tors. eta vs tors. theta energy: -153.253 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: 105 Temperature: 1.200000 Total energy: -2054.017850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.017850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.017850 (E_RNA) where: Base-Base interactions energy: -1315.178 where: short stacking energy: -573.978 Base-Backbone interact. energy: -0.506 local terms energy: -738.333507 where: bonds (distance) C4'-P energy: -167.102 bonds (distance) P-C4' energy: -163.484 flat angles C4'-P-C4' energy: -165.764 flat angles P-C4'-P energy: -106.069 tors. eta vs tors. theta energy: -135.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1844.437065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.437065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.437065 (E_RNA) where: Base-Base interactions energy: -1209.684 where: short stacking energy: -543.145 Base-Backbone interact. energy: -2.017 local terms energy: -632.735709 where: bonds (distance) C4'-P energy: -130.381 bonds (distance) P-C4' energy: -144.738 flat angles C4'-P-C4' energy: -162.679 flat angles P-C4'-P energy: -87.533 tors. eta vs tors. theta energy: -107.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -1481.237442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.237442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.237442 (E_RNA) where: Base-Base interactions energy: -907.435 where: short stacking energy: -421.722 Base-Backbone interact. energy: -2.143 local terms energy: -571.659110 where: bonds (distance) C4'-P energy: -141.839 bonds (distance) P-C4' energy: -160.254 flat angles C4'-P-C4' energy: -139.393 flat angles P-C4'-P energy: -60.159 tors. eta vs tors. theta energy: -70.014 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: 5 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -871.083863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.083863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.083863 (E_RNA) where: Base-Base interactions energy: -407.403 where: short stacking energy: -213.604 Base-Backbone interact. energy: -1.966 local terms energy: -461.715241 where: bonds (distance) C4'-P energy: -152.400 bonds (distance) P-C4' energy: -147.143 flat angles C4'-P-C4' energy: -125.367 flat angles P-C4'-P energy: -62.778 tors. eta vs tors. theta energy: 25.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -3124.922720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.922720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.922720 (E_RNA) where: Base-Base interactions energy: -2159.709 where: short stacking energy: -922.723 Base-Backbone interact. energy: -4.978 local terms energy: -960.235938 where: bonds (distance) C4'-P energy: -186.533 bonds (distance) P-C4' energy: -168.423 flat angles C4'-P-C4' energy: -201.019 flat angles P-C4'-P energy: -137.065 tors. eta vs tors. theta energy: -267.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -2950.798645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.798645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.798645 (E_RNA) where: Base-Base interactions energy: -2032.272 where: short stacking energy: -893.235 Base-Backbone interact. energy: -3.545 local terms energy: -914.982023 where: bonds (distance) C4'-P energy: -158.255 bonds (distance) P-C4' energy: -181.155 flat angles C4'-P-C4' energy: -191.725 flat angles P-C4'-P energy: -137.033 tors. eta vs tors. theta energy: -246.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -2846.085489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.085489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.085489 (E_RNA) where: Base-Base interactions energy: -1958.005 where: short stacking energy: -851.190 Base-Backbone interact. energy: -5.878 local terms energy: -882.202427 where: bonds (distance) C4'-P energy: -156.235 bonds (distance) P-C4' energy: -185.447 flat angles C4'-P-C4' energy: -197.779 flat angles P-C4'-P energy: -117.664 tors. eta vs tors. theta energy: -225.077 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: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -2572.565488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.565488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.565488 (E_RNA) where: Base-Base interactions energy: -1737.833 where: short stacking energy: -776.317 Base-Backbone interact. energy: 3.351 local terms energy: -838.084159 where: bonds (distance) C4'-P energy: -153.472 bonds (distance) P-C4' energy: -151.252 flat angles C4'-P-C4' energy: -188.286 flat angles P-C4'-P energy: -126.010 tors. eta vs tors. theta energy: -219.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -2565.527757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.527757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.527757 (E_RNA) where: Base-Base interactions energy: -1762.495 where: short stacking energy: -751.034 Base-Backbone interact. energy: -1.344 local terms energy: -801.689090 where: bonds (distance) C4'-P energy: -168.457 bonds (distance) P-C4' energy: -151.799 flat angles C4'-P-C4' energy: -175.786 flat angles P-C4'-P energy: -106.915 tors. eta vs tors. theta energy: -198.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -2326.424468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2326.424468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2326.424468 (E_RNA) where: Base-Base interactions energy: -1560.985 where: short stacking energy: -680.917 Base-Backbone interact. energy: 1.640 local terms energy: -767.080143 where: bonds (distance) C4'-P energy: -161.519 bonds (distance) P-C4' energy: -137.682 flat angles C4'-P-C4' energy: -172.981 flat angles P-C4'-P energy: -99.869 tors. eta vs tors. theta energy: -195.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -2092.870944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2092.870944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2092.870944 (E_RNA) where: Base-Base interactions energy: -1368.059 where: short stacking energy: -586.537 Base-Backbone interact. energy: -4.605 local terms energy: -720.206699 where: bonds (distance) C4'-P energy: -163.538 bonds (distance) P-C4' energy: -159.755 flat angles C4'-P-C4' energy: -177.914 flat angles P-C4'-P energy: -93.582 tors. eta vs tors. theta energy: -125.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1830.284173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.284173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.284173 (E_RNA) where: Base-Base interactions energy: -1197.207 where: short stacking energy: -552.358 Base-Backbone interact. energy: 0.194 local terms energy: -633.271201 where: bonds (distance) C4'-P energy: -129.149 bonds (distance) P-C4' energy: -147.346 flat angles C4'-P-C4' energy: -163.250 flat angles P-C4'-P energy: -80.204 tors. eta vs tors. theta energy: -113.322 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: 3 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -1516.911291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.911291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.911291 (E_RNA) where: Base-Base interactions energy: -915.363 where: short stacking energy: -427.323 Base-Backbone interact. energy: -0.386 local terms energy: -601.161627 where: bonds (distance) C4'-P energy: -139.288 bonds (distance) P-C4' energy: -164.880 flat angles C4'-P-C4' energy: -143.771 flat angles P-C4'-P energy: -79.467 tors. eta vs tors. theta energy: -73.756 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: 5 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -870.274496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.274496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.274496 (E_RNA) where: Base-Base interactions energy: -417.144 where: short stacking energy: -222.752 Base-Backbone interact. energy: 2.231 local terms energy: -455.361044 where: bonds (distance) C4'-P energy: -147.320 bonds (distance) P-C4' energy: -158.375 flat angles C4'-P-C4' energy: -126.483 flat angles P-C4'-P energy: -56.366 tors. eta vs tors. theta energy: 33.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -3152.451034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.451034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.451034 (E_RNA) where: Base-Base interactions energy: -2152.785 where: short stacking energy: -911.356 Base-Backbone interact. energy: -3.491 local terms energy: -996.174517 where: bonds (distance) C4'-P energy: -186.074 bonds (distance) P-C4' energy: -175.561 flat angles C4'-P-C4' energy: -213.074 flat angles P-C4'-P energy: -148.160 tors. eta vs tors. theta energy: -273.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -2941.407529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.407529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.407529 (E_RNA) where: Base-Base interactions energy: -2036.080 where: short stacking energy: -887.332 Base-Backbone interact. energy: -0.623 local terms energy: -904.705105 where: bonds (distance) C4'-P energy: -175.139 bonds (distance) P-C4' energy: -168.628 flat angles C4'-P-C4' energy: -192.488 flat angles P-C4'-P energy: -127.396 tors. eta vs tors. theta energy: -241.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -2851.342629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.342629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.342629 (E_RNA) where: Base-Base interactions energy: -1948.801 where: short stacking energy: -859.364 Base-Backbone interact. energy: 3.104 local terms energy: -905.645303 where: bonds (distance) C4'-P energy: -178.941 bonds (distance) P-C4' energy: -171.957 flat angles C4'-P-C4' energy: -189.859 flat angles P-C4'-P energy: -120.298 tors. eta vs tors. theta energy: -244.591 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: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -2597.627255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.627255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.627255 (E_RNA) where: Base-Base interactions energy: -1759.279 where: short stacking energy: -786.532 Base-Backbone interact. energy: 0.398 local terms energy: -838.745664 where: bonds (distance) C4'-P energy: -160.420 bonds (distance) P-C4' energy: -164.191 flat angles C4'-P-C4' energy: -186.023 flat angles P-C4'-P energy: -127.563 tors. eta vs tors. theta energy: -200.549 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: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -2545.327532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.327532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.327532 (E_RNA) where: Base-Base interactions energy: -1764.209 where: short stacking energy: -740.585 Base-Backbone interact. energy: 1.945 local terms energy: -783.063626 where: bonds (distance) C4'-P energy: -153.927 bonds (distance) P-C4' energy: -163.503 flat angles C4'-P-C4' energy: -168.853 flat angles P-C4'-P energy: -99.050 tors. eta vs tors. theta energy: -197.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -2327.848254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.848254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.848254 (E_RNA) where: Base-Base interactions energy: -1557.074 where: short stacking energy: -712.409 Base-Backbone interact. energy: -1.366 local terms energy: -769.408473 where: bonds (distance) C4'-P energy: -152.799 bonds (distance) P-C4' energy: -160.826 flat angles C4'-P-C4' energy: -184.758 flat angles P-C4'-P energy: -95.405 tors. eta vs tors. theta energy: -175.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -2011.026139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.026139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.026139 (E_RNA) where: Base-Base interactions energy: -1351.088 where: short stacking energy: -594.079 Base-Backbone interact. energy: -0.516 local terms energy: -659.422042 where: bonds (distance) C4'-P energy: -147.656 bonds (distance) P-C4' energy: -138.266 flat angles C4'-P-C4' energy: -145.060 flat angles P-C4'-P energy: -109.111 tors. eta vs tors. theta energy: -119.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1825.010898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.010898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.010898 (E_RNA) where: Base-Base interactions energy: -1165.662 where: short stacking energy: -522.312 Base-Backbone interact. energy: 7.595 local terms energy: -666.943810 where: bonds (distance) C4'-P energy: -137.702 bonds (distance) P-C4' energy: -166.918 flat angles C4'-P-C4' energy: -151.124 flat angles P-C4'-P energy: -104.886 tors. eta vs tors. theta energy: -106.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -1508.363412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.363412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.363412 (E_RNA) where: Base-Base interactions energy: -948.550 where: short stacking energy: -438.948 Base-Backbone interact. energy: -1.066 local terms energy: -558.747842 where: bonds (distance) C4'-P energy: -125.253 bonds (distance) P-C4' energy: -162.867 flat angles C4'-P-C4' energy: -126.063 flat angles P-C4'-P energy: -78.073 tors. eta vs tors. theta energy: -66.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -819.111537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.111537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.111537 (E_RNA) where: Base-Base interactions energy: -363.109 where: short stacking energy: -239.063 Base-Backbone interact. energy: -1.374 local terms energy: -454.628982 where: bonds (distance) C4'-P energy: -153.183 bonds (distance) P-C4' energy: -136.525 flat angles C4'-P-C4' energy: -113.334 flat angles P-C4'-P energy: -72.114 tors. eta vs tors. theta energy: 20.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -3139.585795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.585795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.585795 (E_RNA) where: Base-Base interactions energy: -2153.717 where: short stacking energy: -924.979 Base-Backbone interact. energy: 4.387 local terms energy: -990.256203 where: bonds (distance) C4'-P energy: -177.934 bonds (distance) P-C4' energy: -195.382 flat angles C4'-P-C4' energy: -196.261 flat angles P-C4'-P energy: -148.475 tors. eta vs tors. theta energy: -272.204 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: 8 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -2966.418650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.418650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.418650 (E_RNA) where: Base-Base interactions energy: -2068.253 where: short stacking energy: -882.495 Base-Backbone interact. energy: -1.835 local terms energy: -896.330078 where: bonds (distance) C4'-P energy: -178.547 bonds (distance) P-C4' energy: -185.223 flat angles C4'-P-C4' energy: -191.825 flat angles P-C4'-P energy: -115.355 tors. eta vs tors. theta energy: -225.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -2842.439154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2842.439154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2842.439154 (E_RNA) where: Base-Base interactions energy: -1947.608 where: short stacking energy: -854.733 Base-Backbone interact. energy: -5.402 local terms energy: -889.429388 where: bonds (distance) C4'-P energy: -153.171 bonds (distance) P-C4' energy: -181.429 flat angles C4'-P-C4' energy: -194.655 flat angles P-C4'-P energy: -123.518 tors. eta vs tors. theta energy: -236.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -2610.174622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.174622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.174622 (E_RNA) where: Base-Base interactions energy: -1771.398 where: short stacking energy: -747.583 Base-Backbone interact. energy: -1.300 local terms energy: -837.476282 where: bonds (distance) C4'-P energy: -173.755 bonds (distance) P-C4' energy: -172.843 flat angles C4'-P-C4' energy: -186.778 flat angles P-C4'-P energy: -111.905 tors. eta vs tors. theta energy: -192.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -2560.955690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.955690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.955690 (E_RNA) where: Base-Base interactions energy: -1773.072 where: short stacking energy: -724.976 Base-Backbone interact. energy: -5.800 local terms energy: -782.083297 where: bonds (distance) C4'-P energy: -172.864 bonds (distance) P-C4' energy: -162.685 flat angles C4'-P-C4' energy: -172.201 flat angles P-C4'-P energy: -100.899 tors. eta vs tors. theta energy: -173.436 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: 6 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -2321.104487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.104487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.104487 (E_RNA) where: Base-Base interactions energy: -1544.589 where: short stacking energy: -705.083 Base-Backbone interact. energy: -0.144 local terms energy: -776.371205 where: bonds (distance) C4'-P energy: -166.103 bonds (distance) P-C4' energy: -156.923 flat angles C4'-P-C4' energy: -181.592 flat angles P-C4'-P energy: -101.206 tors. eta vs tors. theta energy: -170.547 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: 9 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1905.473969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1905.473969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1905.473969 (E_RNA) where: Base-Base interactions energy: -1249.611 where: short stacking energy: -545.655 Base-Backbone interact. energy: -5.850 local terms energy: -650.012879 where: bonds (distance) C4'-P energy: -131.854 bonds (distance) P-C4' energy: -148.423 flat angles C4'-P-C4' energy: -171.671 flat angles P-C4'-P energy: -81.476 tors. eta vs tors. theta energy: -116.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -1809.358739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.358739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.358739 (E_RNA) where: Base-Base interactions energy: -1133.020 where: short stacking energy: -510.367 Base-Backbone interact. energy: -1.238 local terms energy: -675.101599 where: bonds (distance) C4'-P energy: -138.762 bonds (distance) P-C4' energy: -166.033 flat angles C4'-P-C4' energy: -173.068 flat angles P-C4'-P energy: -96.753 tors. eta vs tors. theta energy: -100.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -1474.282436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.282436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.282436 (E_RNA) where: Base-Base interactions energy: -884.663 where: short stacking energy: -436.535 Base-Backbone interact. energy: -5.835 local terms energy: -583.784280 where: bonds (distance) C4'-P energy: -145.818 bonds (distance) P-C4' energy: -161.841 flat angles C4'-P-C4' energy: -139.110 flat angles P-C4'-P energy: -77.583 tors. eta vs tors. theta energy: -59.433 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: 5 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -922.943525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.943525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.943525 (E_RNA) where: Base-Base interactions energy: -464.555 where: short stacking energy: -263.335 Base-Backbone interact. energy: 1.146 local terms energy: -459.534531 where: bonds (distance) C4'-P energy: -137.923 bonds (distance) P-C4' energy: -120.098 flat angles C4'-P-C4' energy: -124.348 flat angles P-C4'-P energy: -82.030 tors. eta vs tors. theta energy: 4.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -3158.448903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.448903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.448903 (E_RNA) where: Base-Base interactions energy: -2164.009 where: short stacking energy: -931.641 Base-Backbone interact. energy: -3.889 local terms energy: -990.550761 where: bonds (distance) C4'-P energy: -175.973 bonds (distance) P-C4' energy: -175.258 flat angles C4'-P-C4' energy: -218.166 flat angles P-C4'-P energy: -144.418 tors. eta vs tors. theta energy: -276.736 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: 8 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -2993.520224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.520224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.520224 (E_RNA) where: Base-Base interactions energy: -2111.666 where: short stacking energy: -867.580 Base-Backbone interact. energy: 4.980 local terms energy: -886.834144 where: bonds (distance) C4'-P energy: -161.243 bonds (distance) P-C4' energy: -165.374 flat angles C4'-P-C4' energy: -192.085 flat angles P-C4'-P energy: -127.382 tors. eta vs tors. theta energy: -240.750 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: 3, replica: 4 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -2854.471268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.471268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.471268 (E_RNA) where: Base-Base interactions energy: -1961.215 where: short stacking energy: -793.278 Base-Backbone interact. energy: -5.291 local terms energy: -887.965189 where: bonds (distance) C4'-P energy: -155.069 bonds (distance) P-C4' energy: -171.898 flat angles C4'-P-C4' energy: -196.167 flat angles P-C4'-P energy: -137.874 tors. eta vs tors. theta energy: -226.957 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: 10 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -2616.101931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.101931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.101931 (E_RNA) where: Base-Base interactions energy: -1816.441 where: short stacking energy: -765.273 Base-Backbone interact. energy: 1.376 local terms energy: -801.036639 where: bonds (distance) C4'-P energy: -154.847 bonds (distance) P-C4' energy: -166.199 flat angles C4'-P-C4' energy: -182.836 flat angles P-C4'-P energy: -92.680 tors. eta vs tors. theta energy: -204.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -2493.079114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.079114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.079114 (E_RNA) where: Base-Base interactions energy: -1728.511 where: short stacking energy: -735.373 Base-Backbone interact. energy: 2.053 local terms energy: -766.621511 where: bonds (distance) C4'-P energy: -143.280 bonds (distance) P-C4' energy: -150.106 flat angles C4'-P-C4' energy: -172.117 flat angles P-C4'-P energy: -113.538 tors. eta vs tors. theta energy: -187.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -2277.425284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.425284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.425284 (E_RNA) where: Base-Base interactions energy: -1519.034 where: short stacking energy: -669.659 Base-Backbone interact. energy: 2.202 local terms energy: -760.592882 where: bonds (distance) C4'-P energy: -165.485 bonds (distance) P-C4' energy: -152.810 flat angles C4'-P-C4' energy: -174.679 flat angles P-C4'-P energy: -94.132 tors. eta vs tors. theta energy: -173.488 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: 9 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1879.814185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.814185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.814185 (E_RNA) where: Base-Base interactions energy: -1218.052 where: short stacking energy: -547.682 Base-Backbone interact. energy: -2.701 local terms energy: -659.061264 where: bonds (distance) C4'-P energy: -136.343 bonds (distance) P-C4' energy: -147.478 flat angles C4'-P-C4' energy: -165.914 flat angles P-C4'-P energy: -113.419 tors. eta vs tors. theta energy: -95.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -1835.226004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.226004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.226004 (E_RNA) where: Base-Base interactions energy: -1155.695 where: short stacking energy: -513.018 Base-Backbone interact. energy: -0.360 local terms energy: -679.171356 where: bonds (distance) C4'-P energy: -145.849 bonds (distance) P-C4' energy: -159.691 flat angles C4'-P-C4' energy: -160.410 flat angles P-C4'-P energy: -93.629 tors. eta vs tors. theta energy: -119.592 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: 9, replica: 3 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -1471.026466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.026466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.026466 (E_RNA) where: Base-Base interactions energy: -895.568 where: short stacking energy: -428.449 Base-Backbone interact. energy: 1.426 local terms energy: -576.885165 where: bonds (distance) C4'-P energy: -152.348 bonds (distance) P-C4' energy: -138.764 flat angles C4'-P-C4' energy: -136.845 flat angles P-C4'-P energy: -95.363 tors. eta vs tors. theta energy: -53.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -813.969036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.969036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.969036 (E_RNA) where: Base-Base interactions energy: -387.793 where: short stacking energy: -230.241 Base-Backbone interact. energy: 11.027 local terms energy: -437.203546 where: bonds (distance) C4'-P energy: -128.002 bonds (distance) P-C4' energy: -162.394 flat angles C4'-P-C4' energy: -91.741 flat angles P-C4'-P energy: -77.155 tors. eta vs tors. theta energy: 22.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -3126.340971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.340971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.340971 (E_RNA) where: Base-Base interactions energy: -2158.102 where: short stacking energy: -935.810 Base-Backbone interact. energy: -3.573 local terms energy: -964.666561 where: bonds (distance) C4'-P energy: -172.731 bonds (distance) P-C4' energy: -191.876 flat angles C4'-P-C4' energy: -208.427 flat angles P-C4'-P energy: -125.714 tors. eta vs tors. theta energy: -265.919 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: 8 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -2996.592566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2996.592566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2996.592566 (E_RNA) where: Base-Base interactions energy: -2069.571 where: short stacking energy: -855.086 Base-Backbone interact. energy: -2.914 local terms energy: -924.107917 where: bonds (distance) C4'-P energy: -166.966 bonds (distance) P-C4' energy: -171.571 flat angles C4'-P-C4' energy: -210.427 flat angles P-C4'-P energy: -129.954 tors. eta vs tors. theta energy: -245.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -2803.716084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.716084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.716084 (E_RNA) where: Base-Base interactions energy: -1934.848 where: short stacking energy: -799.326 Base-Backbone interact. energy: -4.537 local terms energy: -864.331085 where: bonds (distance) C4'-P energy: -166.328 bonds (distance) P-C4' energy: -177.513 flat angles C4'-P-C4' energy: -185.086 flat angles P-C4'-P energy: -110.076 tors. eta vs tors. theta energy: -225.329 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: 10 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -2639.237360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.237360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.237360 (E_RNA) where: Base-Base interactions energy: -1801.480 where: short stacking energy: -720.608 Base-Backbone interact. energy: -1.849 local terms energy: -835.909014 where: bonds (distance) C4'-P energy: -175.089 bonds (distance) P-C4' energy: -175.855 flat angles C4'-P-C4' energy: -179.794 flat angles P-C4'-P energy: -110.125 tors. eta vs tors. theta energy: -195.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -2429.004897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.004897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.004897 (E_RNA) where: Base-Base interactions energy: -1618.015 where: short stacking energy: -709.033 Base-Backbone interact. energy: -1.713 local terms energy: -809.276178 where: bonds (distance) C4'-P energy: -168.341 bonds (distance) P-C4' energy: -171.277 flat angles C4'-P-C4' energy: -181.216 flat angles P-C4'-P energy: -119.110 tors. eta vs tors. theta energy: -169.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -2239.073119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.073119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.073119 (E_RNA) where: Base-Base interactions energy: -1495.390 where: short stacking energy: -676.099 Base-Backbone interact. energy: 1.622 local terms energy: -745.304307 where: bonds (distance) C4'-P energy: -146.589 bonds (distance) P-C4' energy: -163.063 flat angles C4'-P-C4' energy: -172.821 flat angles P-C4'-P energy: -109.496 tors. eta vs tors. theta energy: -153.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1945.791349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.791349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.791349 (E_RNA) where: Base-Base interactions energy: -1244.447 where: short stacking energy: -599.047 Base-Backbone interact. energy: -1.959 local terms energy: -699.385651 where: bonds (distance) C4'-P energy: -160.923 bonds (distance) P-C4' energy: -154.593 flat angles C4'-P-C4' energy: -166.146 flat angles P-C4'-P energy: -79.892 tors. eta vs tors. theta energy: -137.831 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: 1 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -1727.345929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.345929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.345929 (E_RNA) where: Base-Base interactions energy: -1060.575 where: short stacking energy: -495.282 Base-Backbone interact. energy: -2.265 local terms energy: -664.505682 where: bonds (distance) C4'-P energy: -147.950 bonds (distance) P-C4' energy: -166.654 flat angles C4'-P-C4' energy: -146.817 flat angles P-C4'-P energy: -119.031 tors. eta vs tors. theta energy: -84.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -1549.576578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.576578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.576578 (E_RNA) where: Base-Base interactions energy: -932.825 where: short stacking energy: -449.366 Base-Backbone interact. energy: 7.981 local terms energy: -624.731732 where: bonds (distance) C4'-P energy: -150.244 bonds (distance) P-C4' energy: -157.792 flat angles C4'-P-C4' energy: -150.908 flat angles P-C4'-P energy: -78.392 tors. eta vs tors. theta energy: -87.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -835.301088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.301088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.301088 (E_RNA) where: Base-Base interactions energy: -365.810 where: short stacking energy: -240.980 Base-Backbone interact. energy: -0.578 local terms energy: -468.912899 where: bonds (distance) C4'-P energy: -134.601 bonds (distance) P-C4' energy: -140.122 flat angles C4'-P-C4' energy: -128.718 flat angles P-C4'-P energy: -81.685 tors. eta vs tors. theta energy: 16.213 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: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -3138.354937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.354937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.354937 (E_RNA) where: Base-Base interactions energy: -2178.738 where: short stacking energy: -942.982 Base-Backbone interact. energy: 0.919 local terms energy: -960.535263 where: bonds (distance) C4'-P energy: -180.676 bonds (distance) P-C4' energy: -183.709 flat angles C4'-P-C4' energy: -192.541 flat angles P-C4'-P energy: -146.446 tors. eta vs tors. theta energy: -257.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -2965.078157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.078157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.078157 (E_RNA) where: Base-Base interactions energy: -2055.240 where: short stacking energy: -866.291 Base-Backbone interact. energy: -6.401 local terms energy: -903.436966 where: bonds (distance) C4'-P energy: -170.990 bonds (distance) P-C4' energy: -180.499 flat angles C4'-P-C4' energy: -193.433 flat angles P-C4'-P energy: -122.222 tors. eta vs tors. theta energy: -236.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -2806.743254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.743254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.743254 (E_RNA) where: Base-Base interactions energy: -1899.291 where: short stacking energy: -795.366 Base-Backbone interact. energy: -4.406 local terms energy: -903.046440 where: bonds (distance) C4'-P energy: -174.856 bonds (distance) P-C4' energy: -172.931 flat angles C4'-P-C4' energy: -192.700 flat angles P-C4'-P energy: -132.811 tors. eta vs tors. theta energy: -229.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -2681.175020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.175020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.175020 (E_RNA) where: Base-Base interactions energy: -1812.766 where: short stacking energy: -805.880 Base-Backbone interact. energy: -0.790 local terms energy: -867.618669 where: bonds (distance) C4'-P energy: -165.724 bonds (distance) P-C4' energy: -161.954 flat angles C4'-P-C4' energy: -182.562 flat angles P-C4'-P energy: -128.681 tors. eta vs tors. theta energy: -228.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -2468.220476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.220476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.220476 (E_RNA) where: Base-Base interactions energy: -1689.496 where: short stacking energy: -740.299 Base-Backbone interact. energy: -0.538 local terms energy: -778.186409 where: bonds (distance) C4'-P energy: -149.264 bonds (distance) P-C4' energy: -151.219 flat angles C4'-P-C4' energy: -185.516 flat angles P-C4'-P energy: -104.615 tors. eta vs tors. theta energy: -187.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -2198.231813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2198.231813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2198.231813 (E_RNA) where: Base-Base interactions energy: -1428.828 where: short stacking energy: -644.435 Base-Backbone interact. energy: 0.140 local terms energy: -769.543819 where: bonds (distance) C4'-P energy: -161.282 bonds (distance) P-C4' energy: -164.255 flat angles C4'-P-C4' energy: -177.079 flat angles P-C4'-P energy: -98.683 tors. eta vs tors. theta energy: -168.245 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: 9 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1913.043190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1913.043190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1913.043190 (E_RNA) where: Base-Base interactions energy: -1259.765 where: short stacking energy: -570.293 Base-Backbone interact. energy: -1.742 local terms energy: -651.536539 where: bonds (distance) C4'-P energy: -148.769 bonds (distance) P-C4' energy: -170.061 flat angles C4'-P-C4' energy: -149.417 flat angles P-C4'-P energy: -82.920 tors. eta vs tors. theta energy: -100.370 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: 8, replica: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -1752.240010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.240010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.240010 (E_RNA) where: Base-Base interactions energy: -1132.262 where: short stacking energy: -506.566 Base-Backbone interact. energy: -0.740 local terms energy: -619.237996 where: bonds (distance) C4'-P energy: -133.911 bonds (distance) P-C4' energy: -142.821 flat angles C4'-P-C4' energy: -148.171 flat angles P-C4'-P energy: -89.727 tors. eta vs tors. theta energy: -104.608 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: 9, replica: 3 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -1492.846116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.846116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.846116 (E_RNA) where: Base-Base interactions energy: -907.170 where: short stacking energy: -436.330 Base-Backbone interact. energy: 2.397 local terms energy: -588.073432 where: bonds (distance) C4'-P energy: -144.450 bonds (distance) P-C4' energy: -142.220 flat angles C4'-P-C4' energy: -119.512 flat angles P-C4'-P energy: -100.147 tors. eta vs tors. theta energy: -81.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -860.466256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.466256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.466256 (E_RNA) where: Base-Base interactions energy: -386.760 where: short stacking energy: -242.606 Base-Backbone interact. energy: 5.836 local terms energy: -479.542528 where: bonds (distance) C4'-P energy: -151.856 bonds (distance) P-C4' energy: -152.317 flat angles C4'-P-C4' energy: -124.501 flat angles P-C4'-P energy: -38.368 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: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -3146.585024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.585024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.585024 (E_RNA) where: Base-Base interactions energy: -2157.993 where: short stacking energy: -935.624 Base-Backbone interact. energy: -6.397 local terms energy: -982.194345 where: bonds (distance) C4'-P energy: -176.927 bonds (distance) P-C4' energy: -191.146 flat angles C4'-P-C4' energy: -210.455 flat angles P-C4'-P energy: -123.850 tors. eta vs tors. theta energy: -279.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -3005.816029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.816029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.816029 (E_RNA) where: Base-Base interactions energy: -2071.155 where: short stacking energy: -846.207 Base-Backbone interact. energy: -1.004 local terms energy: -933.656690 where: bonds (distance) C4'-P energy: -168.986 bonds (distance) P-C4' energy: -200.915 flat angles C4'-P-C4' energy: -195.164 flat angles P-C4'-P energy: -136.633 tors. eta vs tors. theta energy: -231.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -2870.876446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.876446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.876446 (E_RNA) where: Base-Base interactions energy: -1990.333 where: short stacking energy: -818.646 Base-Backbone interact. energy: -1.648 local terms energy: -878.896209 where: bonds (distance) C4'-P energy: -156.543 bonds (distance) P-C4' energy: -175.925 flat angles C4'-P-C4' energy: -192.528 flat angles P-C4'-P energy: -128.595 tors. eta vs tors. theta energy: -225.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -2692.712431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2692.712431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2692.712431 (E_RNA) where: Base-Base interactions energy: -1841.503 where: short stacking energy: -778.843 Base-Backbone interact. energy: -3.228 local terms energy: -847.981134 where: bonds (distance) C4'-P energy: -171.816 bonds (distance) P-C4' energy: -168.027 flat angles C4'-P-C4' energy: -186.563 flat angles P-C4'-P energy: -113.475 tors. eta vs tors. theta energy: -208.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -2514.467934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.467934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.467934 (E_RNA) where: Base-Base interactions energy: -1706.684 where: short stacking energy: -726.782 Base-Backbone interact. energy: -2.746 local terms energy: -805.038426 where: bonds (distance) C4'-P energy: -153.072 bonds (distance) P-C4' energy: -181.978 flat angles C4'-P-C4' energy: -181.228 flat angles P-C4'-P energy: -111.145 tors. eta vs tors. theta energy: -177.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -2223.282756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.282756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.282756 (E_RNA) where: Base-Base interactions energy: -1441.899 where: short stacking energy: -666.236 Base-Backbone interact. energy: -0.900 local terms energy: -780.483561 where: bonds (distance) C4'-P energy: -164.383 bonds (distance) P-C4' energy: -170.188 flat angles C4'-P-C4' energy: -179.792 flat angles P-C4'-P energy: -110.125 tors. eta vs tors. theta energy: -155.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -2012.656696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.656696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.656696 (E_RNA) where: Base-Base interactions energy: -1320.843 where: short stacking energy: -627.322 Base-Backbone interact. energy: -0.993 local terms energy: -690.820113 where: bonds (distance) C4'-P energy: -152.333 bonds (distance) P-C4' energy: -133.340 flat angles C4'-P-C4' energy: -174.480 flat angles P-C4'-P energy: -100.785 tors. eta vs tors. theta energy: -129.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -1726.087024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.087024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.087024 (E_RNA) where: Base-Base interactions energy: -1120.583 where: short stacking energy: -516.390 Base-Backbone interact. energy: 6.663 local terms energy: -612.166255 where: bonds (distance) C4'-P energy: -140.355 bonds (distance) P-C4' energy: -150.809 flat angles C4'-P-C4' energy: -150.813 flat angles P-C4'-P energy: -78.362 tors. eta vs tors. theta energy: -91.827 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: 3 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -1498.520003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.520003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.520003 (E_RNA) where: Base-Base interactions energy: -934.940 where: short stacking energy: -460.280 Base-Backbone interact. energy: 0.700 local terms energy: -564.279667 where: bonds (distance) C4'-P energy: -135.290 bonds (distance) P-C4' energy: -154.997 flat angles C4'-P-C4' energy: -129.875 flat angles P-C4'-P energy: -67.070 tors. eta vs tors. theta energy: -77.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -791.860773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.860773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.860773 (E_RNA) where: Base-Base interactions energy: -359.223 where: short stacking energy: -239.935 Base-Backbone interact. energy: 0.670 local terms energy: -433.308252 where: bonds (distance) C4'-P energy: -118.314 bonds (distance) P-C4' energy: -146.445 flat angles C4'-P-C4' energy: -94.687 flat angles P-C4'-P energy: -82.812 tors. eta vs tors. theta energy: 8.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -3150.344210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.344210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.344210 (E_RNA) where: Base-Base interactions energy: -2200.028 where: short stacking energy: -955.331 Base-Backbone interact. energy: -2.677 local terms energy: -947.639611 where: bonds (distance) C4'-P energy: -159.189 bonds (distance) P-C4' energy: -179.131 flat angles C4'-P-C4' energy: -200.033 flat angles P-C4'-P energy: -137.886 tors. eta vs tors. theta energy: -271.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -3013.524586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.524586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.524586 (E_RNA) where: Base-Base interactions energy: -2100.873 where: short stacking energy: -907.763 Base-Backbone interact. energy: -3.016 local terms energy: -909.634660 where: bonds (distance) C4'-P energy: -170.943 bonds (distance) P-C4' energy: -163.907 flat angles C4'-P-C4' energy: -208.405 flat angles P-C4'-P energy: -120.445 tors. eta vs tors. theta energy: -245.934 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: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -2850.941198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.941198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.941198 (E_RNA) where: Base-Base interactions energy: -1937.852 where: short stacking energy: -823.842 Base-Backbone interact. energy: -8.290 local terms energy: -904.799270 where: bonds (distance) C4'-P energy: -170.524 bonds (distance) P-C4' energy: -174.924 flat angles C4'-P-C4' energy: -190.034 flat angles P-C4'-P energy: -125.003 tors. eta vs tors. theta energy: -244.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -2700.192508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.192508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.192508 (E_RNA) where: Base-Base interactions energy: -1944.407 where: short stacking energy: -805.197 Base-Backbone interact. energy: -3.522 local terms energy: -752.263232 where: bonds (distance) C4'-P energy: -136.081 bonds (distance) P-C4' energy: -142.931 flat angles C4'-P-C4' energy: -160.903 flat angles P-C4'-P energy: -107.292 tors. eta vs tors. theta energy: -205.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -2536.094143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.094143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.094143 (E_RNA) where: Base-Base interactions energy: -1731.592 where: short stacking energy: -711.710 Base-Backbone interact. energy: -4.132 local terms energy: -800.370080 where: bonds (distance) C4'-P energy: -166.383 bonds (distance) P-C4' energy: -174.305 flat angles C4'-P-C4' energy: -183.428 flat angles P-C4'-P energy: -105.203 tors. eta vs tors. theta energy: -171.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -2267.713017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.713017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.713017 (E_RNA) where: Base-Base interactions energy: -1497.814 where: short stacking energy: -707.026 Base-Backbone interact. energy: -1.318 local terms energy: -768.581246 where: bonds (distance) C4'-P energy: -150.347 bonds (distance) P-C4' energy: -156.306 flat angles C4'-P-C4' energy: -177.129 flat angles P-C4'-P energy: -102.203 tors. eta vs tors. theta energy: -182.596 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: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1989.263989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.263989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.263989 (E_RNA) where: Base-Base interactions energy: -1313.646 where: short stacking energy: -584.751 Base-Backbone interact. energy: 0.884 local terms energy: -676.501974 where: bonds (distance) C4'-P energy: -155.646 bonds (distance) P-C4' energy: -150.437 flat angles C4'-P-C4' energy: -160.927 flat angles P-C4'-P energy: -102.615 tors. eta vs tors. theta energy: -106.877 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: 1 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -1758.707248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.707248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.707248 (E_RNA) where: Base-Base interactions energy: -1113.850 where: short stacking energy: -498.445 Base-Backbone interact. energy: -0.883 local terms energy: -643.974180 where: bonds (distance) C4'-P energy: -153.406 bonds (distance) P-C4' energy: -149.818 flat angles C4'-P-C4' energy: -157.490 flat angles P-C4'-P energy: -82.025 tors. eta vs tors. theta energy: -101.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -1514.393153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.393153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.393153 (E_RNA) where: Base-Base interactions energy: -919.393 where: short stacking energy: -448.407 Base-Backbone interact. energy: -2.211 local terms energy: -592.789137 where: bonds (distance) C4'-P energy: -149.568 bonds (distance) P-C4' energy: -146.519 flat angles C4'-P-C4' energy: -143.357 flat angles P-C4'-P energy: -76.948 tors. eta vs tors. theta energy: -76.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -834.596796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.596796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.596796 (E_RNA) where: Base-Base interactions energy: -359.617 where: short stacking energy: -228.631 Base-Backbone interact. energy: 0.646 local terms energy: -475.626258 where: bonds (distance) C4'-P energy: -144.039 bonds (distance) P-C4' energy: -157.339 flat angles C4'-P-C4' energy: -119.895 flat angles P-C4'-P energy: -73.299 tors. eta vs tors. theta energy: 18.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -3139.553868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.553868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.553868 (E_RNA) where: Base-Base interactions energy: -2184.447 where: short stacking energy: -974.000 Base-Backbone interact. energy: -2.888 local terms energy: -952.218109 where: bonds (distance) C4'-P energy: -161.704 bonds (distance) P-C4' energy: -173.216 flat angles C4'-P-C4' energy: -209.714 flat angles P-C4'-P energy: -134.704 tors. eta vs tors. theta energy: -272.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -3000.203080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.203080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.203080 (E_RNA) where: Base-Base interactions energy: -2100.155 where: short stacking energy: -907.165 Base-Backbone interact. energy: -4.932 local terms energy: -895.116182 where: bonds (distance) C4'-P energy: -178.179 bonds (distance) P-C4' energy: -164.972 flat angles C4'-P-C4' energy: -190.966 flat angles P-C4'-P energy: -136.364 tors. eta vs tors. theta energy: -224.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -2897.377834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.377834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.377834 (E_RNA) where: Base-Base interactions energy: -2029.042 where: short stacking energy: -823.412 Base-Backbone interact. energy: 1.679 local terms energy: -870.014444 where: bonds (distance) C4'-P energy: -161.627 bonds (distance) P-C4' energy: -168.889 flat angles C4'-P-C4' energy: -188.120 flat angles P-C4'-P energy: -119.990 tors. eta vs tors. theta energy: -231.390 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: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -2733.071202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.071202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.071202 (E_RNA) where: Base-Base interactions energy: -1894.291 where: short stacking energy: -772.446 Base-Backbone interact. energy: -1.363 local terms energy: -837.417230 where: bonds (distance) C4'-P energy: -158.674 bonds (distance) P-C4' energy: -158.158 flat angles C4'-P-C4' energy: -196.484 flat angles P-C4'-P energy: -111.218 tors. eta vs tors. theta energy: -212.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -2574.043756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.043756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.043756 (E_RNA) where: Base-Base interactions energy: -1797.849 where: short stacking energy: -775.330 Base-Backbone interact. energy: -6.553 local terms energy: -769.641105 where: bonds (distance) C4'-P energy: -140.031 bonds (distance) P-C4' energy: -166.047 flat angles C4'-P-C4' energy: -175.862 flat angles P-C4'-P energy: -97.739 tors. eta vs tors. theta energy: -189.962 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: 6, replica: 6 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -2283.667335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2283.667335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2283.667335 (E_RNA) where: Base-Base interactions energy: -1528.018 where: short stacking energy: -699.984 Base-Backbone interact. energy: 3.948 local terms energy: -759.597569 where: bonds (distance) C4'-P energy: -144.119 bonds (distance) P-C4' energy: -172.879 flat angles C4'-P-C4' energy: -166.286 flat angles P-C4'-P energy: -97.763 tors. eta vs tors. theta energy: -178.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -2052.486231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.486231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.486231 (E_RNA) where: Base-Base interactions energy: -1344.237 where: short stacking energy: -582.009 Base-Backbone interact. energy: -1.942 local terms energy: -706.307576 where: bonds (distance) C4'-P energy: -148.509 bonds (distance) P-C4' energy: -163.369 flat angles C4'-P-C4' energy: -176.943 flat angles P-C4'-P energy: -81.585 tors. eta vs tors. theta energy: -135.902 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: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -1799.356842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.356842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.356842 (E_RNA) where: Base-Base interactions energy: -1170.912 where: short stacking energy: -514.644 Base-Backbone interact. energy: 1.614 local terms energy: -630.058413 where: bonds (distance) C4'-P energy: -148.515 bonds (distance) P-C4' energy: -120.430 flat angles C4'-P-C4' energy: -136.908 flat angles P-C4'-P energy: -101.176 tors. eta vs tors. theta energy: -123.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -1524.836116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.836116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.836116 (E_RNA) where: Base-Base interactions energy: -874.836 where: short stacking energy: -440.341 Base-Backbone interact. energy: 2.104 local terms energy: -652.103968 where: bonds (distance) C4'-P energy: -158.255 bonds (distance) P-C4' energy: -161.859 flat angles C4'-P-C4' energy: -151.602 flat angles P-C4'-P energy: -103.332 tors. eta vs tors. theta energy: -77.056 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: 5 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -858.477645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.477645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.477645 (E_RNA) where: Base-Base interactions energy: -404.987 where: short stacking energy: -248.451 Base-Backbone interact. energy: 0.975 local terms energy: -454.465402 where: bonds (distance) C4'-P energy: -134.720 bonds (distance) P-C4' energy: -157.039 flat angles C4'-P-C4' energy: -133.113 flat angles P-C4'-P energy: -58.530 tors. eta vs tors. theta energy: 28.937 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: 7 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -3168.586988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.586988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.586988 (E_RNA) where: Base-Base interactions energy: -2197.628 where: short stacking energy: -959.546 Base-Backbone interact. energy: -4.641 local terms energy: -966.317341 where: bonds (distance) C4'-P energy: -167.980 bonds (distance) P-C4' energy: -177.251 flat angles C4'-P-C4' energy: -203.417 flat angles P-C4'-P energy: -135.100 tors. eta vs tors. theta energy: -282.570 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: 8 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -3003.152819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.152819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.152819 (E_RNA) where: Base-Base interactions energy: -2089.811 where: short stacking energy: -851.732 Base-Backbone interact. energy: 0.624 local terms energy: -913.965386 where: bonds (distance) C4'-P energy: -171.606 bonds (distance) P-C4' energy: -165.955 flat angles C4'-P-C4' energy: -202.752 flat angles P-C4'-P energy: -149.592 tors. eta vs tors. theta energy: -224.061 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: 4 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -2890.523168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.523168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.523168 (E_RNA) where: Base-Base interactions energy: -2000.769 where: short stacking energy: -839.740 Base-Backbone interact. energy: -5.244 local terms energy: -884.510051 where: bonds (distance) C4'-P energy: -169.169 bonds (distance) P-C4' energy: -165.033 flat angles C4'-P-C4' energy: -198.368 flat angles P-C4'-P energy: -118.206 tors. eta vs tors. theta energy: -233.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -2698.169173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.169173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.169173 (E_RNA) where: Base-Base interactions energy: -1852.675 where: short stacking energy: -760.928 Base-Backbone interact. energy: -1.577 local terms energy: -843.917370 where: bonds (distance) C4'-P energy: -157.747 bonds (distance) P-C4' energy: -180.199 flat angles C4'-P-C4' energy: -192.627 flat angles P-C4'-P energy: -102.110 tors. eta vs tors. theta energy: -211.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -2589.087327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.087327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.087327 (E_RNA) where: Base-Base interactions energy: -1801.551 where: short stacking energy: -760.642 Base-Backbone interact. energy: -2.519 local terms energy: -785.017314 where: bonds (distance) C4'-P energy: -148.158 bonds (distance) P-C4' energy: -145.860 flat angles C4'-P-C4' energy: -177.065 flat angles P-C4'-P energy: -121.563 tors. eta vs tors. theta energy: -192.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -2276.830014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2276.830014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2276.830014 (E_RNA) where: Base-Base interactions energy: -1504.791 where: short stacking energy: -705.084 Base-Backbone interact. energy: -5.759 local terms energy: -766.280406 where: bonds (distance) C4'-P energy: -161.540 bonds (distance) P-C4' energy: -148.968 flat angles C4'-P-C4' energy: -161.514 flat angles P-C4'-P energy: -112.006 tors. eta vs tors. theta energy: -182.253 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: 115 Temperature: 1.200000 Total energy: -2180.597633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2180.597633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2180.597633 (E_RNA) where: Base-Base interactions energy: -1462.088 where: short stacking energy: -654.190 Base-Backbone interact. energy: -4.214 local terms energy: -714.296235 where: bonds (distance) C4'-P energy: -158.492 bonds (distance) P-C4' energy: -141.629 flat angles C4'-P-C4' energy: -151.303 flat angles P-C4'-P energy: -102.211 tors. eta vs tors. theta energy: -160.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -1809.897016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.897016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.897016 (E_RNA) where: Base-Base interactions energy: -1157.574 where: short stacking energy: -550.278 Base-Backbone interact. energy: 2.842 local terms energy: -655.164291 where: bonds (distance) C4'-P energy: -139.329 bonds (distance) P-C4' energy: -151.456 flat angles C4'-P-C4' energy: -146.702 flat angles P-C4'-P energy: -87.325 tors. eta vs tors. theta energy: -130.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -1524.449897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.449897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.449897 (E_RNA) where: Base-Base interactions energy: -908.826 where: short stacking energy: -437.042 Base-Backbone interact. energy: 8.528 local terms energy: -624.151373 where: bonds (distance) C4'-P energy: -142.847 bonds (distance) P-C4' energy: -159.765 flat angles C4'-P-C4' energy: -152.191 flat angles P-C4'-P energy: -82.868 tors. eta vs tors. theta energy: -86.480 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: 10, replica: 5 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -917.629124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.629124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.629124 (E_RNA) where: Base-Base interactions energy: -421.176 where: short stacking energy: -269.128 Base-Backbone interact. energy: 4.157 local terms energy: -500.610092 where: bonds (distance) C4'-P energy: -132.956 bonds (distance) P-C4' energy: -157.381 flat angles C4'-P-C4' energy: -117.844 flat angles P-C4'-P energy: -87.712 tors. eta vs tors. theta energy: -4.718 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: 1, replica: 7 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -3143.822545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.822545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.822545 (E_RNA) where: Base-Base interactions energy: -2181.840 where: short stacking energy: -945.111 Base-Backbone interact. energy: -2.920 local terms energy: -959.061922 where: bonds (distance) C4'-P energy: -157.448 bonds (distance) P-C4' energy: -180.087 flat angles C4'-P-C4' energy: -208.387 flat angles P-C4'-P energy: -140.688 tors. eta vs tors. theta energy: -272.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -2992.204398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.204398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.204398 (E_RNA) where: Base-Base interactions energy: -2063.746 where: short stacking energy: -872.798 Base-Backbone interact. energy: -5.958 local terms energy: -922.500963 where: bonds (distance) C4'-P energy: -175.388 bonds (distance) P-C4' energy: -174.540 flat angles C4'-P-C4' energy: -206.956 flat angles P-C4'-P energy: -126.462 tors. eta vs tors. theta energy: -239.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -2931.206527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.206527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.206527 (E_RNA) where: Base-Base interactions energy: -2030.009 where: short stacking energy: -849.800 Base-Backbone interact. energy: -2.906 local terms energy: -898.291270 where: bonds (distance) C4'-P energy: -156.811 bonds (distance) P-C4' energy: -173.978 flat angles C4'-P-C4' energy: -194.002 flat angles P-C4'-P energy: -133.329 tors. eta vs tors. theta energy: -240.171 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: 10 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -2672.124309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.124309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.124309 (E_RNA) where: Base-Base interactions energy: -1843.485 where: short stacking energy: -783.151 Base-Backbone interact. energy: 2.763 local terms energy: -831.402126 where: bonds (distance) C4'-P energy: -153.850 bonds (distance) P-C4' energy: -170.254 flat angles C4'-P-C4' energy: -176.210 flat angles P-C4'-P energy: -121.406 tors. eta vs tors. theta energy: -209.682 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: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -2608.055281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.055281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.055281 (E_RNA) where: Base-Base interactions energy: -1805.449 where: short stacking energy: -737.264 Base-Backbone interact. energy: 0.782 local terms energy: -803.387768 where: bonds (distance) C4'-P energy: -153.332 bonds (distance) P-C4' energy: -176.532 flat angles C4'-P-C4' energy: -175.784 flat angles P-C4'-P energy: -112.410 tors. eta vs tors. theta energy: -185.330 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: 116 Temperature: 1.150000 Total energy: -2238.850276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.850276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.850276 (E_RNA) where: Base-Base interactions energy: -1488.901 where: short stacking energy: -697.564 Base-Backbone interact. energy: 0.363 local terms energy: -750.313030 where: bonds (distance) C4'-P energy: -124.062 bonds (distance) P-C4' energy: -162.735 flat angles C4'-P-C4' energy: -172.091 flat angles P-C4'-P energy: -118.809 tors. eta vs tors. theta energy: -172.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -2139.990306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2139.990306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2139.990306 (E_RNA) where: Base-Base interactions energy: -1446.859 where: short stacking energy: -636.861 Base-Backbone interact. energy: -2.689 local terms energy: -690.442005 where: bonds (distance) C4'-P energy: -134.000 bonds (distance) P-C4' energy: -156.819 flat angles C4'-P-C4' energy: -162.131 flat angles P-C4'-P energy: -98.682 tors. eta vs tors. theta energy: -138.810 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: 1 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -1819.819908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1819.819908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1819.819908 (E_RNA) where: Base-Base interactions energy: -1159.393 where: short stacking energy: -491.195 Base-Backbone interact. energy: 1.026 local terms energy: -661.452603 where: bonds (distance) C4'-P energy: -144.042 bonds (distance) P-C4' energy: -154.163 flat angles C4'-P-C4' energy: -153.852 flat angles P-C4'-P energy: -98.493 tors. eta vs tors. theta energy: -110.903 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: 3 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -1473.865182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.865182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.865182 (E_RNA) where: Base-Base interactions energy: -884.709 where: short stacking energy: -421.722 Base-Backbone interact. energy: -3.686 local terms energy: -585.470457 where: bonds (distance) C4'-P energy: -149.278 bonds (distance) P-C4' energy: -152.378 flat angles C4'-P-C4' energy: -130.311 flat angles P-C4'-P energy: -87.193 tors. eta vs tors. theta energy: -66.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -853.388531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.388531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.388531 (E_RNA) where: Base-Base interactions energy: -413.746 where: short stacking energy: -271.265 Base-Backbone interact. energy: -6.438 local terms energy: -433.204161 where: bonds (distance) C4'-P energy: -143.229 bonds (distance) P-C4' energy: -126.246 flat angles C4'-P-C4' energy: -131.405 flat angles P-C4'-P energy: -41.477 tors. eta vs tors. theta energy: 9.153 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: 7 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -3123.260559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.260559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.260559 (E_RNA) where: Base-Base interactions energy: -2157.753 where: short stacking energy: -910.416 Base-Backbone interact. energy: -4.228 local terms energy: -961.279339 where: bonds (distance) C4'-P energy: -163.249 bonds (distance) P-C4' energy: -185.025 flat angles C4'-P-C4' energy: -213.065 flat angles P-C4'-P energy: -130.600 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: 2, replica: 8 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -3025.191735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.191735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.191735 (E_RNA) where: Base-Base interactions energy: -2123.647 where: short stacking energy: -881.448 Base-Backbone interact. energy: 1.635 local terms energy: -903.179516 where: bonds (distance) C4'-P energy: -163.505 bonds (distance) P-C4' energy: -176.069 flat angles C4'-P-C4' energy: -194.509 flat angles P-C4'-P energy: -143.677 tors. eta vs tors. theta energy: -225.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -2879.806440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.806440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.806440 (E_RNA) where: Base-Base interactions energy: -1977.474 where: short stacking energy: -832.657 Base-Backbone interact. energy: -4.460 local terms energy: -897.872888 where: bonds (distance) C4'-P energy: -158.435 bonds (distance) P-C4' energy: -176.118 flat angles C4'-P-C4' energy: -205.933 flat angles P-C4'-P energy: -123.718 tors. eta vs tors. theta energy: -233.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -2677.195374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.195374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.195374 (E_RNA) where: Base-Base interactions energy: -1864.500 where: short stacking energy: -808.234 Base-Backbone interact. energy: -1.403 local terms energy: -811.292627 where: bonds (distance) C4'-P energy: -158.479 bonds (distance) P-C4' energy: -151.823 flat angles C4'-P-C4' energy: -169.524 flat angles P-C4'-P energy: -119.624 tors. eta vs tors. theta energy: -211.843 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: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -2617.023390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.023390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.023390 (E_RNA) where: Base-Base interactions energy: -1830.539 where: short stacking energy: -786.373 Base-Backbone interact. energy: -2.070 local terms energy: -784.413592 where: bonds (distance) C4'-P energy: -150.150 bonds (distance) P-C4' energy: -150.047 flat angles C4'-P-C4' energy: -170.335 flat angles P-C4'-P energy: -110.215 tors. eta vs tors. theta energy: -203.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -2262.322664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2262.322664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2262.322664 (E_RNA) where: Base-Base interactions energy: -1504.695 where: short stacking energy: -695.602 Base-Backbone interact. energy: 0.131 local terms energy: -757.758601 where: bonds (distance) C4'-P energy: -141.845 bonds (distance) P-C4' energy: -135.257 flat angles C4'-P-C4' energy: -178.415 flat angles P-C4'-P energy: -113.339 tors. eta vs tors. theta energy: -188.904 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: 9 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -2189.904749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2189.904749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2189.904749 (E_RNA) where: Base-Base interactions energy: -1507.832 where: short stacking energy: -661.193 Base-Backbone interact. energy: -0.807 local terms energy: -681.265545 where: bonds (distance) C4'-P energy: -150.160 bonds (distance) P-C4' energy: -119.292 flat angles C4'-P-C4' energy: -163.763 flat angles P-C4'-P energy: -103.534 tors. eta vs tors. theta energy: -144.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1811.104347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.104347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.104347 (E_RNA) where: Base-Base interactions energy: -1151.709 where: short stacking energy: -534.160 Base-Backbone interact. energy: 4.499 local terms energy: -663.895123 where: bonds (distance) C4'-P energy: -151.743 bonds (distance) P-C4' energy: -155.387 flat angles C4'-P-C4' energy: -164.027 flat angles P-C4'-P energy: -85.245 tors. eta vs tors. theta energy: -107.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -1514.693316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.693316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.693316 (E_RNA) where: Base-Base interactions energy: -911.713 where: short stacking energy: -424.106 Base-Backbone interact. energy: -0.301 local terms energy: -602.678987 where: bonds (distance) C4'-P energy: -127.899 bonds (distance) P-C4' energy: -169.102 flat angles C4'-P-C4' energy: -145.621 flat angles P-C4'-P energy: -90.990 tors. eta vs tors. theta energy: -69.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -897.174845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.174845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.174845 (E_RNA) where: Base-Base interactions energy: -416.671 where: short stacking energy: -254.874 Base-Backbone interact. energy: 1.827 local terms energy: -482.331055 where: bonds (distance) C4'-P energy: -151.891 bonds (distance) P-C4' energy: -149.666 flat angles C4'-P-C4' energy: -132.344 flat angles P-C4'-P energy: -54.974 tors. eta vs tors. theta energy: 6.543 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: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -3141.731385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.731385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.731385 (E_RNA) where: Base-Base interactions energy: -2173.815 where: short stacking energy: -929.140 Base-Backbone interact. energy: -2.450 local terms energy: -965.465753 where: bonds (distance) C4'-P energy: -164.771 bonds (distance) P-C4' energy: -169.317 flat angles C4'-P-C4' energy: -209.608 flat angles P-C4'-P energy: -139.039 tors. eta vs tors. theta energy: -282.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -3039.636391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.636391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.636391 (E_RNA) where: Base-Base interactions energy: -2107.873 where: short stacking energy: -879.122 Base-Backbone interact. energy: -3.708 local terms energy: -928.054859 where: bonds (distance) C4'-P energy: -184.167 bonds (distance) P-C4' energy: -185.863 flat angles C4'-P-C4' energy: -199.140 flat angles P-C4'-P energy: -132.345 tors. eta vs tors. theta energy: -226.540 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: 4 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -2873.184682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.184682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.184682 (E_RNA) where: Base-Base interactions energy: -2007.576 where: short stacking energy: -825.556 Base-Backbone interact. energy: -3.131 local terms energy: -862.477443 where: bonds (distance) C4'-P energy: -142.877 bonds (distance) P-C4' energy: -177.303 flat angles C4'-P-C4' energy: -191.819 flat angles P-C4'-P energy: -118.790 tors. eta vs tors. theta energy: -231.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -2724.529687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.529687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.529687 (E_RNA) where: Base-Base interactions energy: -1873.360 where: short stacking energy: -801.507 Base-Backbone interact. energy: -1.653 local terms energy: -849.516569 where: bonds (distance) C4'-P energy: -168.237 bonds (distance) P-C4' energy: -153.415 flat angles C4'-P-C4' energy: -191.868 flat angles P-C4'-P energy: -131.665 tors. eta vs tors. theta energy: -204.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -2545.924250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.924250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.924250 (E_RNA) where: Base-Base interactions energy: -1733.051 where: short stacking energy: -747.099 Base-Backbone interact. energy: 2.452 local terms energy: -815.324733 where: bonds (distance) C4'-P energy: -153.219 bonds (distance) P-C4' energy: -150.337 flat angles C4'-P-C4' energy: -195.361 flat angles P-C4'-P energy: -116.764 tors. eta vs tors. theta energy: -199.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -2284.062875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2284.062875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2284.062875 (E_RNA) where: Base-Base interactions energy: -1533.801 where: short stacking energy: -693.472 Base-Backbone interact. energy: 5.724 local terms energy: -755.985879 where: bonds (distance) C4'-P energy: -149.717 bonds (distance) P-C4' energy: -150.368 flat angles C4'-P-C4' energy: -180.494 flat angles P-C4'-P energy: -94.064 tors. eta vs tors. theta energy: -181.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -2219.410826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.410826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.410826 (E_RNA) where: Base-Base interactions energy: -1507.934 where: short stacking energy: -621.935 Base-Backbone interact. energy: -0.837 local terms energy: -710.640077 where: bonds (distance) C4'-P energy: -152.895 bonds (distance) P-C4' energy: -136.218 flat angles C4'-P-C4' energy: -164.403 flat angles P-C4'-P energy: -106.209 tors. eta vs tors. theta energy: -150.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -1785.957233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.957233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.957233 (E_RNA) where: Base-Base interactions energy: -1131.401 where: short stacking energy: -527.153 Base-Backbone interact. energy: -5.981 local terms energy: -648.575264 where: bonds (distance) C4'-P energy: -158.793 bonds (distance) P-C4' energy: -145.052 flat angles C4'-P-C4' energy: -138.829 flat angles P-C4'-P energy: -93.283 tors. eta vs tors. theta energy: -112.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -1492.358167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.358167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.358167 (E_RNA) where: Base-Base interactions energy: -922.382 where: short stacking energy: -430.603 Base-Backbone interact. energy: 5.010 local terms energy: -574.986259 where: bonds (distance) C4'-P energy: -131.245 bonds (distance) P-C4' energy: -153.640 flat angles C4'-P-C4' energy: -146.340 flat angles P-C4'-P energy: -77.536 tors. eta vs tors. theta energy: -66.224 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: 5 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -884.578583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.578583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.578583 (E_RNA) where: Base-Base interactions energy: -403.655 where: short stacking energy: -223.685 Base-Backbone interact. energy: 10.002 local terms energy: -490.926190 where: bonds (distance) C4'-P energy: -156.637 bonds (distance) P-C4' energy: -120.136 flat angles C4'-P-C4' energy: -162.254 flat angles P-C4'-P energy: -74.202 tors. eta vs tors. theta energy: 22.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -3155.208101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.208101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.208101 (E_RNA) where: Base-Base interactions energy: -2181.912 where: short stacking energy: -952.057 Base-Backbone interact. energy: 2.599 local terms energy: -975.895260 where: bonds (distance) C4'-P energy: -172.069 bonds (distance) P-C4' energy: -188.853 flat angles C4'-P-C4' energy: -208.180 flat angles P-C4'-P energy: -129.576 tors. eta vs tors. theta energy: -277.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -2989.705151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.705151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.705151 (E_RNA) where: Base-Base interactions energy: -2052.842 where: short stacking energy: -876.824 Base-Backbone interact. energy: -4.310 local terms energy: -932.553429 where: bonds (distance) C4'-P energy: -184.633 bonds (distance) P-C4' energy: -176.378 flat angles C4'-P-C4' energy: -204.406 flat angles P-C4'-P energy: -135.600 tors. eta vs tors. theta energy: -231.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -2868.144631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.144631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.144631 (E_RNA) where: Base-Base interactions energy: -1994.948 where: short stacking energy: -853.414 Base-Backbone interact. energy: -4.417 local terms energy: -868.779602 where: bonds (distance) C4'-P energy: -178.570 bonds (distance) P-C4' energy: -176.913 flat angles C4'-P-C4' energy: -184.749 flat angles P-C4'-P energy: -105.431 tors. eta vs tors. theta energy: -223.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -2732.349999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.349999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.349999 (E_RNA) where: Base-Base interactions energy: -1883.857 where: short stacking energy: -807.317 Base-Backbone interact. energy: -3.179 local terms energy: -845.314677 where: bonds (distance) C4'-P energy: -170.835 bonds (distance) P-C4' energy: -169.621 flat angles C4'-P-C4' energy: -186.354 flat angles P-C4'-P energy: -106.848 tors. eta vs tors. theta energy: -211.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -2546.296343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.296343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.296343 (E_RNA) where: Base-Base interactions energy: -1769.198 where: short stacking energy: -743.260 Base-Backbone interact. energy: -3.603 local terms energy: -773.494984 where: bonds (distance) C4'-P energy: -126.322 bonds (distance) P-C4' energy: -173.791 flat angles C4'-P-C4' energy: -166.220 flat angles P-C4'-P energy: -116.349 tors. eta vs tors. theta energy: -190.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -2315.322697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.322697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.322697 (E_RNA) where: Base-Base interactions energy: -1583.357 where: short stacking energy: -691.660 Base-Backbone interact. energy: 19.638 local terms energy: -751.603926 where: bonds (distance) C4'-P energy: -155.273 bonds (distance) P-C4' energy: -146.375 flat angles C4'-P-C4' energy: -154.307 flat angles P-C4'-P energy: -124.281 tors. eta vs tors. theta energy: -171.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -2177.225841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.225841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.225841 (E_RNA) where: Base-Base interactions energy: -1433.736 where: short stacking energy: -629.542 Base-Backbone interact. energy: 2.180 local terms energy: -745.669666 where: bonds (distance) C4'-P energy: -148.348 bonds (distance) P-C4' energy: -156.867 flat angles C4'-P-C4' energy: -174.082 flat angles P-C4'-P energy: -115.621 tors. eta vs tors. theta energy: -150.752 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: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1849.940210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.940210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.940210 (E_RNA) where: Base-Base interactions energy: -1209.480 where: short stacking energy: -558.594 Base-Backbone interact. energy: -2.477 local terms energy: -637.983201 where: bonds (distance) C4'-P energy: -133.407 bonds (distance) P-C4' energy: -145.927 flat angles C4'-P-C4' energy: -164.551 flat angles P-C4'-P energy: -88.936 tors. eta vs tors. theta energy: -105.163 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: 9, replica: 3 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -1519.145676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.145676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.145676 (E_RNA) where: Base-Base interactions energy: -941.876 where: short stacking energy: -442.017 Base-Backbone interact. energy: 2.323 local terms energy: -579.592311 where: bonds (distance) C4'-P energy: -124.024 bonds (distance) P-C4' energy: -153.066 flat angles C4'-P-C4' energy: -143.628 flat angles P-C4'-P energy: -103.409 tors. eta vs tors. theta energy: -55.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -880.485457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.485457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.485457 (E_RNA) where: Base-Base interactions energy: -411.200 where: short stacking energy: -246.953 Base-Backbone interact. energy: -0.004 local terms energy: -469.281439 where: bonds (distance) C4'-P energy: -152.647 bonds (distance) P-C4' energy: -135.639 flat angles C4'-P-C4' energy: -112.652 flat angles P-C4'-P energy: -73.564 tors. eta vs tors. theta energy: 5.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -3149.033494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.033494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.033494 (E_RNA) where: Base-Base interactions energy: -2169.160 where: short stacking energy: -909.433 Base-Backbone interact. energy: -2.636 local terms energy: -977.238137 where: bonds (distance) C4'-P energy: -170.717 bonds (distance) P-C4' energy: -176.882 flat angles C4'-P-C4' energy: -209.027 flat angles P-C4'-P energy: -154.127 tors. eta vs tors. theta energy: -266.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -3033.702273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.702273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.702273 (E_RNA) where: Base-Base interactions energy: -2091.860 where: short stacking energy: -892.807 Base-Backbone interact. energy: -3.141 local terms energy: -938.700590 where: bonds (distance) C4'-P energy: -173.054 bonds (distance) P-C4' energy: -172.456 flat angles C4'-P-C4' energy: -213.028 flat angles P-C4'-P energy: -137.737 tors. eta vs tors. theta energy: -242.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -2884.823997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2884.823997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2884.823997 (E_RNA) where: Base-Base interactions energy: -2017.899 where: short stacking energy: -859.317 Base-Backbone interact. energy: 3.331 local terms energy: -870.255656 where: bonds (distance) C4'-P energy: -143.313 bonds (distance) P-C4' energy: -157.857 flat angles C4'-P-C4' energy: -200.326 flat angles P-C4'-P energy: -130.412 tors. eta vs tors. theta energy: -238.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -2630.507628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.507628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.507628 (E_RNA) where: Base-Base interactions energy: -1809.555 where: short stacking energy: -781.997 Base-Backbone interact. energy: -5.430 local terms energy: -815.522902 where: bonds (distance) C4'-P energy: -157.669 bonds (distance) P-C4' energy: -163.399 flat angles C4'-P-C4' energy: -188.949 flat angles P-C4'-P energy: -107.860 tors. eta vs tors. theta energy: -197.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -2547.488445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.488445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.488445 (E_RNA) where: Base-Base interactions energy: -1742.810 where: short stacking energy: -739.399 Base-Backbone interact. energy: 2.883 local terms energy: -807.561374 where: bonds (distance) C4'-P energy: -166.296 bonds (distance) P-C4' energy: -142.251 flat angles C4'-P-C4' energy: -187.077 flat angles P-C4'-P energy: -143.328 tors. eta vs tors. theta energy: -168.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -2337.132866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.132866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.132866 (E_RNA) where: Base-Base interactions energy: -1606.010 where: short stacking energy: -695.009 Base-Backbone interact. energy: -0.482 local terms energy: -730.641237 where: bonds (distance) C4'-P energy: -143.144 bonds (distance) P-C4' energy: -170.677 flat angles C4'-P-C4' energy: -158.643 flat angles P-C4'-P energy: -95.433 tors. eta vs tors. theta energy: -162.744 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: 7, replica: 6 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -2194.482872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2194.482872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2194.482872 (E_RNA) where: Base-Base interactions energy: -1446.036 where: short stacking energy: -665.377 Base-Backbone interact. energy: -0.340 local terms energy: -748.106036 where: bonds (distance) C4'-P energy: -164.617 bonds (distance) P-C4' energy: -146.639 flat angles C4'-P-C4' energy: -159.222 flat angles P-C4'-P energy: -113.729 tors. eta vs tors. theta energy: -163.899 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: 1 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1814.894871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1814.894871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1814.894871 (E_RNA) where: Base-Base interactions energy: -1168.112 where: short stacking energy: -542.552 Base-Backbone interact. energy: 3.374 local terms energy: -650.156870 where: bonds (distance) C4'-P energy: -135.279 bonds (distance) P-C4' energy: -155.355 flat angles C4'-P-C4' energy: -159.441 flat angles P-C4'-P energy: -95.323 tors. eta vs tors. theta energy: -104.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -1509.260345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.260345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.260345 (E_RNA) where: Base-Base interactions energy: -901.825 where: short stacking energy: -440.688 Base-Backbone interact. energy: -4.311 local terms energy: -603.123614 where: bonds (distance) C4'-P energy: -147.746 bonds (distance) P-C4' energy: -153.694 flat angles C4'-P-C4' energy: -147.930 flat angles P-C4'-P energy: -92.484 tors. eta vs tors. theta energy: -61.269 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: 5 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -846.802744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.802744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.802744 (E_RNA) where: Base-Base interactions energy: -384.447 where: short stacking energy: -252.900 Base-Backbone interact. energy: 4.086 local terms energy: -466.441429 where: bonds (distance) C4'-P energy: -136.980 bonds (distance) P-C4' energy: -161.110 flat angles C4'-P-C4' energy: -130.885 flat angles P-C4'-P energy: -62.709 tors. eta vs tors. theta energy: 25.242 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: 7 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -3176.420345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.420345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.420345 (E_RNA) where: Base-Base interactions energy: -2211.082 where: short stacking energy: -935.970 Base-Backbone interact. energy: -0.793 local terms energy: -964.545727 where: bonds (distance) C4'-P energy: -177.165 bonds (distance) P-C4' energy: -173.775 flat angles C4'-P-C4' energy: -210.521 flat angles P-C4'-P energy: -134.948 tors. eta vs tors. theta energy: -268.137 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: 2, replica: 8 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -3032.106072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.106072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.106072 (E_RNA) where: Base-Base interactions energy: -2074.058 where: short stacking energy: -880.767 Base-Backbone interact. energy: -4.472 local terms energy: -953.576015 where: bonds (distance) C4'-P energy: -179.869 bonds (distance) P-C4' energy: -196.045 flat angles C4'-P-C4' energy: -200.828 flat angles P-C4'-P energy: -133.038 tors. eta vs tors. theta energy: -243.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -2889.095295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.095295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.095295 (E_RNA) where: Base-Base interactions energy: -2002.005 where: short stacking energy: -846.053 Base-Backbone interact. energy: -3.022 local terms energy: -884.068190 where: bonds (distance) C4'-P energy: -168.069 bonds (distance) P-C4' energy: -162.419 flat angles C4'-P-C4' energy: -189.937 flat angles P-C4'-P energy: -135.366 tors. eta vs tors. theta energy: -228.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -2660.602565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.602565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.602565 (E_RNA) where: Base-Base interactions energy: -1810.217 where: short stacking energy: -778.259 Base-Backbone interact. energy: -1.893 local terms energy: -848.492922 where: bonds (distance) C4'-P energy: -168.683 bonds (distance) P-C4' energy: -182.990 flat angles C4'-P-C4' energy: -184.778 flat angles P-C4'-P energy: -108.248 tors. eta vs tors. theta energy: -203.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -2554.420201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.420201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.420201 (E_RNA) where: Base-Base interactions energy: -1736.996 where: short stacking energy: -773.172 Base-Backbone interact. energy: 3.386 local terms energy: -820.810984 where: bonds (distance) C4'-P energy: -156.691 bonds (distance) P-C4' energy: -171.460 flat angles C4'-P-C4' energy: -181.263 flat angles P-C4'-P energy: -112.757 tors. eta vs tors. theta energy: -198.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -2322.864510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.864510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.864510 (E_RNA) where: Base-Base interactions energy: -1556.687 where: short stacking energy: -679.274 Base-Backbone interact. energy: -3.781 local terms energy: -762.396870 where: bonds (distance) C4'-P energy: -147.660 bonds (distance) P-C4' energy: -148.111 flat angles C4'-P-C4' energy: -181.203 flat angles P-C4'-P energy: -126.471 tors. eta vs tors. theta energy: -158.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -2149.849147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.849147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.849147 (E_RNA) where: Base-Base interactions energy: -1412.623 where: short stacking energy: -656.604 Base-Backbone interact. energy: -2.999 local terms energy: -734.227164 where: bonds (distance) C4'-P energy: -147.467 bonds (distance) P-C4' energy: -142.620 flat angles C4'-P-C4' energy: -178.552 flat angles P-C4'-P energy: -106.528 tors. eta vs tors. theta energy: -159.060 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: 1 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1856.424716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.424716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.424716 (E_RNA) where: Base-Base interactions energy: -1177.535 where: short stacking energy: -544.358 Base-Backbone interact. energy: 1.814 local terms energy: -680.702956 where: bonds (distance) C4'-P energy: -157.372 bonds (distance) P-C4' energy: -161.312 flat angles C4'-P-C4' energy: -150.066 flat angles P-C4'-P energy: -84.419 tors. eta vs tors. theta energy: -127.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -1428.800664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.800664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.800664 (E_RNA) where: Base-Base interactions energy: -842.499 where: short stacking energy: -398.144 Base-Backbone interact. energy: 5.496 local terms energy: -591.797356 where: bonds (distance) C4'-P energy: -123.079 bonds (distance) P-C4' energy: -159.020 flat angles C4'-P-C4' energy: -143.844 flat angles P-C4'-P energy: -95.524 tors. eta vs tors. theta energy: -70.330 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: 5 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -826.501593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.501593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.501593 (E_RNA) where: Base-Base interactions energy: -357.915 where: short stacking energy: -255.042 Base-Backbone interact. energy: -0.226 local terms energy: -468.360367 where: bonds (distance) C4'-P energy: -140.762 bonds (distance) P-C4' energy: -155.867 flat angles C4'-P-C4' energy: -103.478 flat angles P-C4'-P energy: -76.214 tors. eta vs tors. theta energy: 7.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -3124.023697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3124.023697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3124.023697 (E_RNA) where: Base-Base interactions energy: -2177.913 where: short stacking energy: -923.094 Base-Backbone interact. energy: -4.172 local terms energy: -941.939640 where: bonds (distance) C4'-P energy: -161.677 bonds (distance) P-C4' energy: -186.314 flat angles C4'-P-C4' energy: -207.537 flat angles P-C4'-P energy: -131.762 tors. eta vs tors. theta energy: -254.649 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: 8 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -2994.475389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.475389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.475389 (E_RNA) where: Base-Base interactions energy: -2116.087 where: short stacking energy: -874.970 Base-Backbone interact. energy: 1.248 local terms energy: -879.635752 where: bonds (distance) C4'-P energy: -157.044 bonds (distance) P-C4' energy: -173.018 flat angles C4'-P-C4' energy: -186.669 flat angles P-C4'-P energy: -138.619 tors. eta vs tors. theta energy: -224.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -2874.395957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.395957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.395957 (E_RNA) where: Base-Base interactions energy: -2000.031 where: short stacking energy: -839.932 Base-Backbone interact. energy: -1.628 local terms energy: -872.737383 where: bonds (distance) C4'-P energy: -162.113 bonds (distance) P-C4' energy: -184.842 flat angles C4'-P-C4' energy: -185.075 flat angles P-C4'-P energy: -112.307 tors. eta vs tors. theta energy: -228.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -2663.794359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.794359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.794359 (E_RNA) where: Base-Base interactions energy: -1826.493 where: short stacking energy: -809.300 Base-Backbone interact. energy: 3.521 local terms energy: -840.822397 where: bonds (distance) C4'-P energy: -163.120 bonds (distance) P-C4' energy: -173.030 flat angles C4'-P-C4' energy: -177.295 flat angles P-C4'-P energy: -113.063 tors. eta vs tors. theta energy: -214.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -2566.693132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.693132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.693132 (E_RNA) where: Base-Base interactions energy: -1754.457 where: short stacking energy: -770.501 Base-Backbone interact. energy: 1.581 local terms energy: -813.817227 where: bonds (distance) C4'-P energy: -157.409 bonds (distance) P-C4' energy: -177.291 flat angles C4'-P-C4' energy: -171.503 flat angles P-C4'-P energy: -99.185 tors. eta vs tors. theta energy: -208.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -2380.120825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.120825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.120825 (E_RNA) where: Base-Base interactions energy: -1603.621 where: short stacking energy: -689.587 Base-Backbone interact. energy: 2.905 local terms energy: -779.405584 where: bonds (distance) C4'-P energy: -156.492 bonds (distance) P-C4' energy: -149.953 flat angles C4'-P-C4' energy: -167.310 flat angles P-C4'-P energy: -119.488 tors. eta vs tors. theta energy: -186.163 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: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -2095.232534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.232534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.232534 (E_RNA) where: Base-Base interactions energy: -1394.426 where: short stacking energy: -623.185 Base-Backbone interact. energy: 17.157 local terms energy: -717.964236 where: bonds (distance) C4'-P energy: -140.639 bonds (distance) P-C4' energy: -160.641 flat angles C4'-P-C4' energy: -174.822 flat angles P-C4'-P energy: -110.970 tors. eta vs tors. theta energy: -130.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1816.633254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.633254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.633254 (E_RNA) where: Base-Base interactions energy: -1165.084 where: short stacking energy: -560.578 Base-Backbone interact. energy: -2.078 local terms energy: -649.470871 where: bonds (distance) C4'-P energy: -131.847 bonds (distance) P-C4' energy: -145.149 flat angles C4'-P-C4' energy: -161.162 flat angles P-C4'-P energy: -78.795 tors. eta vs tors. theta energy: -132.518 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: 3 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -1404.295527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.295527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.295527 (E_RNA) where: Base-Base interactions energy: -838.782 where: short stacking energy: -407.174 Base-Backbone interact. energy: 3.273 local terms energy: -568.787019 where: bonds (distance) C4'-P energy: -134.732 bonds (distance) P-C4' energy: -141.423 flat angles C4'-P-C4' energy: -126.899 flat angles P-C4'-P energy: -108.102 tors. eta vs tors. theta energy: -57.631 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: 5 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -869.648565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.648565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.648565 (E_RNA) where: Base-Base interactions energy: -424.077 where: short stacking energy: -263.150 Base-Backbone interact. energy: 7.450 local terms energy: -453.021509 where: bonds (distance) C4'-P energy: -133.392 bonds (distance) P-C4' energy: -136.820 flat angles C4'-P-C4' energy: -116.220 flat angles P-C4'-P energy: -79.566 tors. eta vs tors. theta energy: 12.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -3121.349004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.349004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.349004 (E_RNA) where: Base-Base interactions energy: -2173.890 where: short stacking energy: -920.327 Base-Backbone interact. energy: -2.862 local terms energy: -944.596558 where: bonds (distance) C4'-P energy: -177.235 bonds (distance) P-C4' energy: -171.866 flat angles C4'-P-C4' energy: -200.824 flat angles P-C4'-P energy: -123.084 tors. eta vs tors. theta energy: -271.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -2994.410168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.410168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.410168 (E_RNA) where: Base-Base interactions energy: -2052.900 where: short stacking energy: -867.980 Base-Backbone interact. energy: -3.725 local terms energy: -937.785289 where: bonds (distance) C4'-P energy: -168.933 bonds (distance) P-C4' energy: -184.124 flat angles C4'-P-C4' energy: -195.546 flat angles P-C4'-P energy: -157.781 tors. eta vs tors. theta energy: -231.400 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: 4 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -2877.149012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.149012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.149012 (E_RNA) where: Base-Base interactions energy: -1999.679 where: short stacking energy: -826.888 Base-Backbone interact. energy: -4.058 local terms energy: -873.411973 where: bonds (distance) C4'-P energy: -163.800 bonds (distance) P-C4' energy: -179.036 flat angles C4'-P-C4' energy: -188.617 flat angles P-C4'-P energy: -120.972 tors. eta vs tors. theta energy: -220.988 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: 4, replica: 10 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -2614.963799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.963799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.963799 (E_RNA) where: Base-Base interactions energy: -1795.716 where: short stacking energy: -770.767 Base-Backbone interact. energy: -1.251 local terms energy: -817.996995 where: bonds (distance) C4'-P energy: -160.400 bonds (distance) P-C4' energy: -156.732 flat angles C4'-P-C4' energy: -184.187 flat angles P-C4'-P energy: -119.816 tors. eta vs tors. theta energy: -196.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -2621.317941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.317941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.317941 (E_RNA) where: Base-Base interactions energy: -1803.198 where: short stacking energy: -796.166 Base-Backbone interact. energy: -0.647 local terms energy: -817.472856 where: bonds (distance) C4'-P energy: -148.781 bonds (distance) P-C4' energy: -150.481 flat angles C4'-P-C4' energy: -182.603 flat angles P-C4'-P energy: -112.665 tors. eta vs tors. theta energy: -222.942 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: 9 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -2415.824587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.824587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.824587 (E_RNA) where: Base-Base interactions energy: -1652.117 where: short stacking energy: -707.406 Base-Backbone interact. energy: -3.006 local terms energy: -760.702144 where: bonds (distance) C4'-P energy: -140.490 bonds (distance) P-C4' energy: -161.296 flat angles C4'-P-C4' energy: -158.028 flat angles P-C4'-P energy: -117.552 tors. eta vs tors. theta energy: -183.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -2039.320944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2039.320944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2039.320944 (E_RNA) where: Base-Base interactions energy: -1355.614 where: short stacking energy: -613.500 Base-Backbone interact. energy: -0.438 local terms energy: -683.269789 where: bonds (distance) C4'-P energy: -140.216 bonds (distance) P-C4' energy: -138.433 flat angles C4'-P-C4' energy: -153.765 flat angles P-C4'-P energy: -106.108 tors. eta vs tors. theta energy: -144.748 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: 8, replica: 1 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1763.189866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.189866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.189866 (E_RNA) where: Base-Base interactions energy: -1121.626 where: short stacking energy: -528.261 Base-Backbone interact. energy: -0.978 local terms energy: -640.585927 where: bonds (distance) C4'-P energy: -142.132 bonds (distance) P-C4' energy: -131.833 flat angles C4'-P-C4' energy: -164.840 flat angles P-C4'-P energy: -86.381 tors. eta vs tors. theta energy: -115.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -1447.046298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.046298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.046298 (E_RNA) where: Base-Base interactions energy: -894.130 where: short stacking energy: -425.908 Base-Backbone interact. energy: 5.009 local terms energy: -557.925274 where: bonds (distance) C4'-P energy: -142.053 bonds (distance) P-C4' energy: -141.178 flat angles C4'-P-C4' energy: -134.010 flat angles P-C4'-P energy: -73.922 tors. eta vs tors. theta energy: -66.763 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: 5 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -833.626575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.626575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.626575 (E_RNA) where: Base-Base interactions energy: -375.863 where: short stacking energy: -211.911 Base-Backbone interact. energy: -2.778 local terms energy: -454.985432 where: bonds (distance) C4'-P energy: -135.250 bonds (distance) P-C4' energy: -139.027 flat angles C4'-P-C4' energy: -137.878 flat angles P-C4'-P energy: -65.963 tors. eta vs tors. theta energy: 23.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -3181.837655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3181.837655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3181.837655 (E_RNA) where: Base-Base interactions energy: -2208.351 where: short stacking energy: -930.834 Base-Backbone interact. energy: -4.647 local terms energy: -968.839134 where: bonds (distance) C4'-P energy: -167.680 bonds (distance) P-C4' energy: -178.600 flat angles C4'-P-C4' energy: -212.242 flat angles P-C4'-P energy: -135.575 tors. eta vs tors. theta energy: -274.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -3008.347075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.347075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.347075 (E_RNA) where: Base-Base interactions energy: -2089.298 where: short stacking energy: -887.330 Base-Backbone interact. energy: -1.237 local terms energy: -917.812363 where: bonds (distance) C4'-P energy: -180.792 bonds (distance) P-C4' energy: -172.221 flat angles C4'-P-C4' energy: -210.516 flat angles P-C4'-P energy: -117.841 tors. eta vs tors. theta energy: -236.443 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: 4 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -2864.814123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.814123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.814123 (E_RNA) where: Base-Base interactions energy: -1996.352 where: short stacking energy: -826.423 Base-Backbone interact. energy: -0.993 local terms energy: -867.469279 where: bonds (distance) C4'-P energy: -161.667 bonds (distance) P-C4' energy: -164.410 flat angles C4'-P-C4' energy: -201.215 flat angles P-C4'-P energy: -112.307 tors. eta vs tors. theta energy: -227.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -2636.406563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.406563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.406563 (E_RNA) where: Base-Base interactions energy: -1778.791 where: short stacking energy: -777.839 Base-Backbone interact. energy: -1.025 local terms energy: -856.590499 where: bonds (distance) C4'-P energy: -179.114 bonds (distance) P-C4' energy: -169.109 flat angles C4'-P-C4' energy: -190.070 flat angles P-C4'-P energy: -112.851 tors. eta vs tors. theta energy: -205.447 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: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -2554.871990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2554.871990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2554.871990 (E_RNA) where: Base-Base interactions energy: -1733.434 where: short stacking energy: -730.606 Base-Backbone interact. energy: -3.024 local terms energy: -818.413929 where: bonds (distance) C4'-P energy: -145.379 bonds (distance) P-C4' energy: -193.662 flat angles C4'-P-C4' energy: -188.095 flat angles P-C4'-P energy: -99.226 tors. eta vs tors. theta energy: -192.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -2450.527612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.527612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.527612 (E_RNA) where: Base-Base interactions energy: -1706.035 where: short stacking energy: -729.958 Base-Backbone interact. energy: -2.294 local terms energy: -742.198758 where: bonds (distance) C4'-P energy: -140.471 bonds (distance) P-C4' energy: -163.388 flat angles C4'-P-C4' energy: -153.715 flat angles P-C4'-P energy: -95.784 tors. eta vs tors. theta energy: -188.841 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: 7, replica: 6 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -2051.652148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.652148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.652148 (E_RNA) where: Base-Base interactions energy: -1337.906 where: short stacking energy: -599.978 Base-Backbone interact. energy: -4.748 local terms energy: -708.998138 where: bonds (distance) C4'-P energy: -152.580 bonds (distance) P-C4' energy: -132.092 flat angles C4'-P-C4' energy: -168.519 flat angles P-C4'-P energy: -115.513 tors. eta vs tors. theta energy: -140.294 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: 1 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1784.803485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.803485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.803485 (E_RNA) where: Base-Base interactions energy: -1135.882 where: short stacking energy: -537.951 Base-Backbone interact. energy: 0.433 local terms energy: -649.354501 where: bonds (distance) C4'-P energy: -142.949 bonds (distance) P-C4' energy: -150.364 flat angles C4'-P-C4' energy: -158.078 flat angles P-C4'-P energy: -81.339 tors. eta vs tors. theta energy: -116.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -1395.617464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.617464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.617464 (E_RNA) where: Base-Base interactions energy: -825.640 where: short stacking energy: -399.663 Base-Backbone interact. energy: 9.175 local terms energy: -579.151710 where: bonds (distance) C4'-P energy: -130.516 bonds (distance) P-C4' energy: -159.585 flat angles C4'-P-C4' energy: -165.104 flat angles P-C4'-P energy: -67.991 tors. eta vs tors. theta energy: -55.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -828.305183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.305183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.305183 (E_RNA) where: Base-Base interactions energy: -347.297 where: short stacking energy: -225.721 Base-Backbone interact. energy: 7.365 local terms energy: -488.373593 where: bonds (distance) C4'-P energy: -127.594 bonds (distance) P-C4' energy: -153.538 flat angles C4'-P-C4' energy: -144.674 flat angles P-C4'-P energy: -81.617 tors. eta vs tors. theta energy: 19.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -3173.943151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.943151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.943151 (E_RNA) where: Base-Base interactions energy: -2208.215 where: short stacking energy: -959.747 Base-Backbone interact. energy: -4.509 local terms energy: -961.218623 where: bonds (distance) C4'-P energy: -167.007 bonds (distance) P-C4' energy: -175.537 flat angles C4'-P-C4' energy: -197.958 flat angles P-C4'-P energy: -125.427 tors. eta vs tors. theta energy: -295.290 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: 8 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -3009.994167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.994167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.994167 (E_RNA) where: Base-Base interactions energy: -2080.891 where: short stacking energy: -873.743 Base-Backbone interact. energy: -3.247 local terms energy: -925.855972 where: bonds (distance) C4'-P energy: -183.716 bonds (distance) P-C4' energy: -187.244 flat angles C4'-P-C4' energy: -178.695 flat angles P-C4'-P energy: -141.094 tors. eta vs tors. theta energy: -235.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -2835.419823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.419823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.419823 (E_RNA) where: Base-Base interactions energy: -1954.752 where: short stacking energy: -838.995 Base-Backbone interact. energy: -0.477 local terms energy: -880.191306 where: bonds (distance) C4'-P energy: -148.552 bonds (distance) P-C4' energy: -178.670 flat angles C4'-P-C4' energy: -186.418 flat angles P-C4'-P energy: -124.738 tors. eta vs tors. theta energy: -241.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -2642.700689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.700689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.700689 (E_RNA) where: Base-Base interactions energy: -1811.473 where: short stacking energy: -792.306 Base-Backbone interact. energy: -5.045 local terms energy: -826.182216 where: bonds (distance) C4'-P energy: -150.137 bonds (distance) P-C4' energy: -176.510 flat angles C4'-P-C4' energy: -185.336 flat angles P-C4'-P energy: -115.297 tors. eta vs tors. theta energy: -198.901 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: 9 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -2506.939757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.939757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.939757 (E_RNA) where: Base-Base interactions energy: -1704.151 where: short stacking energy: -744.510 Base-Backbone interact. energy: -1.885 local terms energy: -800.904658 where: bonds (distance) C4'-P energy: -165.269 bonds (distance) P-C4' energy: -151.872 flat angles C4'-P-C4' energy: -185.579 flat angles P-C4'-P energy: -104.019 tors. eta vs tors. theta energy: -194.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -2401.002725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.002725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.002725 (E_RNA) where: Base-Base interactions energy: -1653.839 where: short stacking energy: -718.011 Base-Backbone interact. energy: -0.039 local terms energy: -747.125191 where: bonds (distance) C4'-P energy: -133.437 bonds (distance) P-C4' energy: -160.995 flat angles C4'-P-C4' energy: -170.732 flat angles P-C4'-P energy: -112.130 tors. eta vs tors. theta energy: -169.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -2047.328786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2047.328786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2047.328786 (E_RNA) where: Base-Base interactions energy: -1308.869 where: short stacking energy: -625.387 Base-Backbone interact. energy: 2.863 local terms energy: -741.322836 where: bonds (distance) C4'-P energy: -155.236 bonds (distance) P-C4' energy: -159.125 flat angles C4'-P-C4' energy: -174.377 flat angles P-C4'-P energy: -110.191 tors. eta vs tors. theta energy: -142.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -1777.111674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.111674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.111674 (E_RNA) where: Base-Base interactions energy: -1147.964 where: short stacking energy: -561.952 Base-Backbone interact. energy: -0.736 local terms energy: -628.411744 where: bonds (distance) C4'-P energy: -139.792 bonds (distance) P-C4' energy: -145.606 flat angles C4'-P-C4' energy: -158.436 flat angles P-C4'-P energy: -70.852 tors. eta vs tors. theta energy: -113.725 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: 3 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -1356.765037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.765037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.765037 (E_RNA) where: Base-Base interactions energy: -804.995 where: short stacking energy: -375.313 Base-Backbone interact. energy: 6.205 local terms energy: -557.975394 where: bonds (distance) C4'-P energy: -149.723 bonds (distance) P-C4' energy: -150.726 flat angles C4'-P-C4' energy: -137.704 flat angles P-C4'-P energy: -82.625 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: 10, replica: 5 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -870.334861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.334861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.334861 (E_RNA) where: Base-Base interactions energy: -420.788 where: short stacking energy: -242.753 Base-Backbone interact. energy: 4.187 local terms energy: -453.733922 where: bonds (distance) C4'-P energy: -136.373 bonds (distance) P-C4' energy: -153.510 flat angles C4'-P-C4' energy: -119.724 flat angles P-C4'-P energy: -68.670 tors. eta vs tors. theta energy: 24.543 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: 1, replica: 7 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -3137.115869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.115869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.115869 (E_RNA) where: Base-Base interactions energy: -2157.746 where: short stacking energy: -929.573 Base-Backbone interact. energy: -2.077 local terms energy: -977.292646 where: bonds (distance) C4'-P energy: -180.049 bonds (distance) P-C4' energy: -175.755 flat angles C4'-P-C4' energy: -202.792 flat angles P-C4'-P energy: -138.257 tors. eta vs tors. theta energy: -280.440 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: 2, replica: 8 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -3033.766703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.766703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.766703 (E_RNA) where: Base-Base interactions energy: -2106.667 where: short stacking energy: -881.423 Base-Backbone interact. energy: -3.711 local terms energy: -923.388568 where: bonds (distance) C4'-P energy: -162.285 bonds (distance) P-C4' energy: -189.535 flat angles C4'-P-C4' energy: -191.842 flat angles P-C4'-P energy: -143.201 tors. eta vs tors. theta energy: -236.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -2865.201243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.201243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.201243 (E_RNA) where: Base-Base interactions energy: -1991.144 where: short stacking energy: -836.475 Base-Backbone interact. energy: -2.362 local terms energy: -871.695328 where: bonds (distance) C4'-P energy: -160.170 bonds (distance) P-C4' energy: -164.392 flat angles C4'-P-C4' energy: -193.472 flat angles P-C4'-P energy: -129.120 tors. eta vs tors. theta energy: -224.541 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: 4, replica: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -2591.437192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.437192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.437192 (E_RNA) where: Base-Base interactions energy: -1780.020 where: short stacking energy: -761.864 Base-Backbone interact. energy: -2.291 local terms energy: -809.126695 where: bonds (distance) C4'-P energy: -138.426 bonds (distance) P-C4' energy: -165.004 flat angles C4'-P-C4' energy: -197.517 flat angles P-C4'-P energy: -115.883 tors. eta vs tors. theta energy: -192.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -2518.372879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.372879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.372879 (E_RNA) where: Base-Base interactions energy: -1728.203 where: short stacking energy: -738.134 Base-Backbone interact. energy: -0.724 local terms energy: -789.445969 where: bonds (distance) C4'-P energy: -153.022 bonds (distance) P-C4' energy: -175.381 flat angles C4'-P-C4' energy: -176.251 flat angles P-C4'-P energy: -98.365 tors. eta vs tors. theta energy: -186.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -2364.319147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.319147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.319147 (E_RNA) where: Base-Base interactions energy: -1601.166 where: short stacking energy: -696.023 Base-Backbone interact. energy: -1.338 local terms energy: -761.814649 where: bonds (distance) C4'-P energy: -153.038 bonds (distance) P-C4' energy: -150.246 flat angles C4'-P-C4' energy: -175.021 flat angles P-C4'-P energy: -103.419 tors. eta vs tors. theta energy: -180.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1880.135296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.135296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.135296 (E_RNA) where: Base-Base interactions energy: -1205.025 where: short stacking energy: -542.478 Base-Backbone interact. energy: -3.595 local terms energy: -671.514497 where: bonds (distance) C4'-P energy: -152.083 bonds (distance) P-C4' energy: -164.116 flat angles C4'-P-C4' energy: -153.796 flat angles P-C4'-P energy: -86.935 tors. eta vs tors. theta energy: -114.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1754.034949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.034949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.034949 (E_RNA) where: Base-Base interactions energy: -1115.102 where: short stacking energy: -529.519 Base-Backbone interact. energy: -1.735 local terms energy: -637.198552 where: bonds (distance) C4'-P energy: -148.670 bonds (distance) P-C4' energy: -140.990 flat angles C4'-P-C4' energy: -150.604 flat angles P-C4'-P energy: -94.859 tors. eta vs tors. theta energy: -102.075 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: 3 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -1387.830654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.830654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.830654 (E_RNA) where: Base-Base interactions energy: -842.974 where: short stacking energy: -390.344 Base-Backbone interact. energy: 0.817 local terms energy: -545.673069 where: bonds (distance) C4'-P energy: -151.796 bonds (distance) P-C4' energy: -130.750 flat angles C4'-P-C4' energy: -134.531 flat angles P-C4'-P energy: -84.098 tors. eta vs tors. theta energy: -44.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -856.032709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.032709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.032709 (E_RNA) where: Base-Base interactions energy: -384.287 where: short stacking energy: -239.613 Base-Backbone interact. energy: 1.191 local terms energy: -472.936834 where: bonds (distance) C4'-P energy: -154.282 bonds (distance) P-C4' energy: -141.098 flat angles C4'-P-C4' energy: -131.858 flat angles P-C4'-P energy: -64.848 tors. eta vs tors. theta energy: 19.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -3107.463007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.463007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.463007 (E_RNA) where: Base-Base interactions energy: -2168.337 where: short stacking energy: -916.481 Base-Backbone interact. energy: 3.245 local terms energy: -942.371252 where: bonds (distance) C4'-P energy: -165.894 bonds (distance) P-C4' energy: -189.767 flat angles C4'-P-C4' energy: -188.286 flat angles P-C4'-P energy: -120.631 tors. eta vs tors. theta energy: -277.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -2985.295459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.295459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.295459 (E_RNA) where: Base-Base interactions energy: -2122.318 where: short stacking energy: -894.199 Base-Backbone interact. energy: -2.686 local terms energy: -860.291075 where: bonds (distance) C4'-P energy: -165.487 bonds (distance) P-C4' energy: -167.830 flat angles C4'-P-C4' energy: -168.479 flat angles P-C4'-P energy: -118.227 tors. eta vs tors. theta energy: -240.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -2890.795397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.795397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.795397 (E_RNA) where: Base-Base interactions energy: -1996.201 where: short stacking energy: -835.320 Base-Backbone interact. energy: -4.889 local terms energy: -889.705895 where: bonds (distance) C4'-P energy: -176.088 bonds (distance) P-C4' energy: -183.947 flat angles C4'-P-C4' energy: -189.966 flat angles P-C4'-P energy: -116.037 tors. eta vs tors. theta energy: -223.668 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: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -2606.542708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.542708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.542708 (E_RNA) where: Base-Base interactions energy: -1773.833 where: short stacking energy: -780.715 Base-Backbone interact. energy: 3.863 local terms energy: -836.572766 where: bonds (distance) C4'-P energy: -157.264 bonds (distance) P-C4' energy: -173.536 flat angles C4'-P-C4' energy: -189.828 flat angles P-C4'-P energy: -127.412 tors. eta vs tors. theta energy: -188.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -2520.964363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.964363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.964363 (E_RNA) where: Base-Base interactions energy: -1707.432 where: short stacking energy: -752.303 Base-Backbone interact. energy: -5.212 local terms energy: -808.320495 where: bonds (distance) C4'-P energy: -158.974 bonds (distance) P-C4' energy: -153.493 flat angles C4'-P-C4' energy: -185.183 flat angles P-C4'-P energy: -114.112 tors. eta vs tors. theta energy: -196.558 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: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -2394.236996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.236996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.236996 (E_RNA) where: Base-Base interactions energy: -1628.214 where: short stacking energy: -761.955 Base-Backbone interact. energy: 6.769 local terms energy: -772.791506 where: bonds (distance) C4'-P energy: -131.465 bonds (distance) P-C4' energy: -152.751 flat angles C4'-P-C4' energy: -174.445 flat angles P-C4'-P energy: -109.479 tors. eta vs tors. theta energy: -204.652 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: 7, replica: 6 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1900.407676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.407676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.407676 (E_RNA) where: Base-Base interactions energy: -1235.098 where: short stacking energy: -570.988 Base-Backbone interact. energy: 3.196 local terms energy: -668.505564 where: bonds (distance) C4'-P energy: -142.909 bonds (distance) P-C4' energy: -165.622 flat angles C4'-P-C4' energy: -163.027 flat angles P-C4'-P energy: -100.329 tors. eta vs tors. theta energy: -96.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1850.462145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.462145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.462145 (E_RNA) where: Base-Base interactions energy: -1182.089 where: short stacking energy: -540.286 Base-Backbone interact. energy: -1.776 local terms energy: -666.596575 where: bonds (distance) C4'-P energy: -143.621 bonds (distance) P-C4' energy: -148.452 flat angles C4'-P-C4' energy: -165.474 flat angles P-C4'-P energy: -98.199 tors. eta vs tors. theta energy: -110.850 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: 3 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -1498.032637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.032637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.032637 (E_RNA) where: Base-Base interactions energy: -897.373 where: short stacking energy: -449.960 Base-Backbone interact. energy: 0.745 local terms energy: -601.405090 where: bonds (distance) C4'-P energy: -134.731 bonds (distance) P-C4' energy: -133.664 flat angles C4'-P-C4' energy: -152.891 flat angles P-C4'-P energy: -89.324 tors. eta vs tors. theta energy: -90.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -842.849328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.849328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.849328 (E_RNA) where: Base-Base interactions energy: -370.027 where: short stacking energy: -255.248 Base-Backbone interact. energy: -1.963 local terms energy: -470.859404 where: bonds (distance) C4'-P energy: -138.068 bonds (distance) P-C4' energy: -149.742 flat angles C4'-P-C4' energy: -119.369 flat angles P-C4'-P energy: -76.442 tors. eta vs tors. theta energy: 12.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -3130.831790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.831790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.831790 (E_RNA) where: Base-Base interactions energy: -2171.426 where: short stacking energy: -937.932 Base-Backbone interact. energy: -2.849 local terms energy: -956.556985 where: bonds (distance) C4'-P energy: -155.962 bonds (distance) P-C4' energy: -194.388 flat angles C4'-P-C4' energy: -206.788 flat angles P-C4'-P energy: -131.534 tors. eta vs tors. theta energy: -267.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -2978.800154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.800154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.800154 (E_RNA) where: Base-Base interactions energy: -2077.920 where: short stacking energy: -836.734 Base-Backbone interact. energy: -4.378 local terms energy: -896.502340 where: bonds (distance) C4'-P energy: -162.104 bonds (distance) P-C4' energy: -176.858 flat angles C4'-P-C4' energy: -198.883 flat angles P-C4'-P energy: -128.695 tors. eta vs tors. theta energy: -229.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -2857.573227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.573227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.573227 (E_RNA) where: Base-Base interactions energy: -1984.531 where: short stacking energy: -828.435 Base-Backbone interact. energy: -0.759 local terms energy: -872.282945 where: bonds (distance) C4'-P energy: -180.021 bonds (distance) P-C4' energy: -154.277 flat angles C4'-P-C4' energy: -178.480 flat angles P-C4'-P energy: -129.206 tors. eta vs tors. theta energy: -230.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -2660.760096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.760096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.760096 (E_RNA) where: Base-Base interactions energy: -1811.620 where: short stacking energy: -765.152 Base-Backbone interact. energy: -4.646 local terms energy: -844.493579 where: bonds (distance) C4'-P energy: -164.242 bonds (distance) P-C4' energy: -165.988 flat angles C4'-P-C4' energy: -186.147 flat angles P-C4'-P energy: -122.908 tors. eta vs tors. theta energy: -205.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -2531.571475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.571475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.571475 (E_RNA) where: Base-Base interactions energy: -1748.602 where: short stacking energy: -754.295 Base-Backbone interact. energy: -3.255 local terms energy: -779.714676 where: bonds (distance) C4'-P energy: -126.991 bonds (distance) P-C4' energy: -164.242 flat angles C4'-P-C4' energy: -188.267 flat angles P-C4'-P energy: -114.396 tors. eta vs tors. theta energy: -185.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -2366.527778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.527778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.527778 (E_RNA) where: Base-Base interactions energy: -1571.045 where: short stacking energy: -684.913 Base-Backbone interact. energy: -2.769 local terms energy: -792.713960 where: bonds (distance) C4'-P energy: -158.879 bonds (distance) P-C4' energy: -153.920 flat angles C4'-P-C4' energy: -191.067 flat angles P-C4'-P energy: -112.192 tors. eta vs tors. theta energy: -176.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1885.389328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.389328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.389328 (E_RNA) where: Base-Base interactions energy: -1203.254 where: short stacking energy: -566.319 Base-Backbone interact. energy: -3.961 local terms energy: -678.174357 where: bonds (distance) C4'-P energy: -149.030 bonds (distance) P-C4' energy: -162.332 flat angles C4'-P-C4' energy: -146.510 flat angles P-C4'-P energy: -108.155 tors. eta vs tors. theta energy: -112.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1793.319423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.319423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.319423 (E_RNA) where: Base-Base interactions energy: -1171.556 where: short stacking energy: -542.425 Base-Backbone interact. energy: -2.681 local terms energy: -619.082321 where: bonds (distance) C4'-P energy: -142.704 bonds (distance) P-C4' energy: -132.946 flat angles C4'-P-C4' energy: -141.118 flat angles P-C4'-P energy: -81.395 tors. eta vs tors. theta energy: -120.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -1568.824538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.824538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.824538 (E_RNA) where: Base-Base interactions energy: -946.121 where: short stacking energy: -463.393 Base-Backbone interact. energy: 3.600 local terms energy: -626.303060 where: bonds (distance) C4'-P energy: -142.549 bonds (distance) P-C4' energy: -151.042 flat angles C4'-P-C4' energy: -152.705 flat angles P-C4'-P energy: -82.570 tors. eta vs tors. theta energy: -97.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -930.466289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.466289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.466289 (E_RNA) where: Base-Base interactions energy: -442.934 where: short stacking energy: -266.333 Base-Backbone interact. energy: 0.258 local terms energy: -487.790825 where: bonds (distance) C4'-P energy: -135.284 bonds (distance) P-C4' energy: -158.611 flat angles C4'-P-C4' energy: -114.663 flat angles P-C4'-P energy: -68.328 tors. eta vs tors. theta energy: -10.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -3152.902088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.902088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.902088 (E_RNA) where: Base-Base interactions energy: -2185.992 where: short stacking energy: -928.546 Base-Backbone interact. energy: -1.575 local terms energy: -965.335182 where: bonds (distance) C4'-P energy: -187.618 bonds (distance) P-C4' energy: -173.036 flat angles C4'-P-C4' energy: -207.857 flat angles P-C4'-P energy: -136.133 tors. eta vs tors. theta energy: -260.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -3029.786966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.786966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.786966 (E_RNA) where: Base-Base interactions energy: -2098.107 where: short stacking energy: -890.628 Base-Backbone interact. energy: -1.513 local terms energy: -930.166968 where: bonds (distance) C4'-P energy: -179.835 bonds (distance) P-C4' energy: -176.741 flat angles C4'-P-C4' energy: -196.894 flat angles P-C4'-P energy: -140.851 tors. eta vs tors. theta energy: -235.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -2895.443056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.443056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.443056 (E_RNA) where: Base-Base interactions energy: -2023.170 where: short stacking energy: -856.892 Base-Backbone interact. energy: -3.079 local terms energy: -869.194335 where: bonds (distance) C4'-P energy: -168.745 bonds (distance) P-C4' energy: -167.319 flat angles C4'-P-C4' energy: -190.007 flat angles P-C4'-P energy: -121.250 tors. eta vs tors. theta energy: -221.874 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: 10 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -2663.153901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.153901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.153901 (E_RNA) where: Base-Base interactions energy: -1835.135 where: short stacking energy: -773.006 Base-Backbone interact. energy: -5.498 local terms energy: -822.521244 where: bonds (distance) C4'-P energy: -139.579 bonds (distance) P-C4' energy: -187.769 flat angles C4'-P-C4' energy: -173.795 flat angles P-C4'-P energy: -102.298 tors. eta vs tors. theta energy: -219.079 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: 9 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -2490.150581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.150581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.150581 (E_RNA) where: Base-Base interactions energy: -1698.508 where: short stacking energy: -704.850 Base-Backbone interact. energy: -2.724 local terms energy: -788.918693 where: bonds (distance) C4'-P energy: -168.993 bonds (distance) P-C4' energy: -165.796 flat angles C4'-P-C4' energy: -155.556 flat angles P-C4'-P energy: -127.431 tors. eta vs tors. theta energy: -171.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -2358.970423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2358.970423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2358.970423 (E_RNA) where: Base-Base interactions energy: -1591.874 where: short stacking energy: -715.918 Base-Backbone interact. energy: -0.935 local terms energy: -766.161874 where: bonds (distance) C4'-P energy: -142.400 bonds (distance) P-C4' energy: -151.328 flat angles C4'-P-C4' energy: -181.637 flat angles P-C4'-P energy: -105.961 tors. eta vs tors. theta energy: -184.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1924.471008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.471008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.471008 (E_RNA) where: Base-Base interactions energy: -1239.406 where: short stacking energy: -592.339 Base-Backbone interact. energy: -1.899 local terms energy: -683.166741 where: bonds (distance) C4'-P energy: -155.233 bonds (distance) P-C4' energy: -171.331 flat angles C4'-P-C4' energy: -157.423 flat angles P-C4'-P energy: -85.594 tors. eta vs tors. theta energy: -113.585 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: 6 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1788.323812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.323812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.323812 (E_RNA) where: Base-Base interactions energy: -1180.637 where: short stacking energy: -508.123 Base-Backbone interact. energy: 2.331 local terms energy: -610.017541 where: bonds (distance) C4'-P energy: -139.333 bonds (distance) P-C4' energy: -156.417 flat angles C4'-P-C4' energy: -148.450 flat angles P-C4'-P energy: -86.960 tors. eta vs tors. theta energy: -78.857 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: 3 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -1600.298080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.298080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.298080 (E_RNA) where: Base-Base interactions energy: -991.825 where: short stacking energy: -496.382 Base-Backbone interact. energy: -2.859 local terms energy: -605.613632 where: bonds (distance) C4'-P energy: -129.622 bonds (distance) P-C4' energy: -145.690 flat angles C4'-P-C4' energy: -151.394 flat angles P-C4'-P energy: -89.333 tors. eta vs tors. theta energy: -89.575 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: 10, replica: 5 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -895.142093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.142093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.142093 (E_RNA) where: Base-Base interactions energy: -427.436 where: short stacking energy: -243.174 Base-Backbone interact. energy: -1.863 local terms energy: -465.843144 where: bonds (distance) C4'-P energy: -119.550 bonds (distance) P-C4' energy: -148.810 flat angles C4'-P-C4' energy: -128.344 flat angles P-C4'-P energy: -68.096 tors. eta vs tors. theta energy: -1.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -3161.122402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.122402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.122402 (E_RNA) where: Base-Base interactions energy: -2170.337 where: short stacking energy: -952.085 Base-Backbone interact. energy: -3.225 local terms energy: -987.560928 where: bonds (distance) C4'-P energy: -181.933 bonds (distance) P-C4' energy: -189.410 flat angles C4'-P-C4' energy: -213.725 flat angles P-C4'-P energy: -128.501 tors. eta vs tors. theta energy: -273.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -3021.514643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3021.514643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3021.514643 (E_RNA) where: Base-Base interactions energy: -2081.384 where: short stacking energy: -866.493 Base-Backbone interact. energy: -3.214 local terms energy: -936.917049 where: bonds (distance) C4'-P energy: -174.395 bonds (distance) P-C4' energy: -182.105 flat angles C4'-P-C4' energy: -212.176 flat angles P-C4'-P energy: -136.731 tors. eta vs tors. theta energy: -231.509 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: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -2877.007842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.007842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.007842 (E_RNA) where: Base-Base interactions energy: -1994.112 where: short stacking energy: -830.367 Base-Backbone interact. energy: 8.379 local terms energy: -891.274543 where: bonds (distance) C4'-P energy: -164.666 bonds (distance) P-C4' energy: -180.864 flat angles C4'-P-C4' energy: -196.779 flat angles P-C4'-P energy: -117.041 tors. eta vs tors. theta energy: -231.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -2622.769126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.769126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.769126 (E_RNA) where: Base-Base interactions energy: -1798.061 where: short stacking energy: -789.972 Base-Backbone interact. energy: 0.775 local terms energy: -825.483642 where: bonds (distance) C4'-P energy: -156.945 bonds (distance) P-C4' energy: -162.942 flat angles C4'-P-C4' energy: -173.244 flat angles P-C4'-P energy: -127.010 tors. eta vs tors. theta energy: -205.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -2526.237041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2526.237041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2526.237041 (E_RNA) where: Base-Base interactions energy: -1743.755 where: short stacking energy: -749.595 Base-Backbone interact. energy: 1.912 local terms energy: -784.393860 where: bonds (distance) C4'-P energy: -162.929 bonds (distance) P-C4' energy: -154.470 flat angles C4'-P-C4' energy: -164.743 flat angles P-C4'-P energy: -110.119 tors. eta vs tors. theta energy: -192.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -2385.531207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2385.531207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2385.531207 (E_RNA) where: Base-Base interactions energy: -1624.259 where: short stacking energy: -719.908 Base-Backbone interact. energy: -2.144 local terms energy: -759.127850 where: bonds (distance) C4'-P energy: -149.297 bonds (distance) P-C4' energy: -161.509 flat angles C4'-P-C4' energy: -172.246 flat angles P-C4'-P energy: -90.522 tors. eta vs tors. theta energy: -185.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1921.119553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.119553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.119553 (E_RNA) where: Base-Base interactions energy: -1242.323 where: short stacking energy: -575.020 Base-Backbone interact. energy: 4.605 local terms energy: -683.400972 where: bonds (distance) C4'-P energy: -143.819 bonds (distance) P-C4' energy: -131.447 flat angles C4'-P-C4' energy: -190.081 flat angles P-C4'-P energy: -90.161 tors. eta vs tors. theta energy: -127.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1865.958965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.958965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.958965 (E_RNA) where: Base-Base interactions energy: -1215.389 where: short stacking energy: -558.476 Base-Backbone interact. energy: -3.326 local terms energy: -647.243591 where: bonds (distance) C4'-P energy: -161.258 bonds (distance) P-C4' energy: -129.220 flat angles C4'-P-C4' energy: -171.181 flat angles P-C4'-P energy: -77.654 tors. eta vs tors. theta energy: -107.930 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: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -1637.398968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.398968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.398968 (E_RNA) where: Base-Base interactions energy: -1000.916 where: short stacking energy: -495.613 Base-Backbone interact. energy: 1.529 local terms energy: -638.011678 where: bonds (distance) C4'-P energy: -152.216 bonds (distance) P-C4' energy: -146.777 flat angles C4'-P-C4' energy: -139.329 flat angles P-C4'-P energy: -98.149 tors. eta vs tors. theta energy: -101.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -839.087432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.087432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.087432 (E_RNA) where: Base-Base interactions energy: -366.535 where: short stacking energy: -228.590 Base-Backbone interact. energy: 5.007 local terms energy: -477.559350 where: bonds (distance) C4'-P energy: -143.709 bonds (distance) P-C4' energy: -155.328 flat angles C4'-P-C4' energy: -123.531 flat angles P-C4'-P energy: -88.172 tors. eta vs tors. theta energy: 33.181 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: 1, replica: 7 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -3125.470451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.470451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.470451 (E_RNA) where: Base-Base interactions energy: -2136.193 where: short stacking energy: -935.126 Base-Backbone interact. energy: -3.457 local terms energy: -985.820389 where: bonds (distance) C4'-P energy: -178.066 bonds (distance) P-C4' energy: -170.312 flat angles C4'-P-C4' energy: -216.682 flat angles P-C4'-P energy: -137.683 tors. eta vs tors. theta energy: -283.077 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: 8 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -3010.278918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.278918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.278918 (E_RNA) where: Base-Base interactions energy: -2087.575 where: short stacking energy: -879.697 Base-Backbone interact. energy: -4.209 local terms energy: -918.494933 where: bonds (distance) C4'-P energy: -162.187 bonds (distance) P-C4' energy: -178.501 flat angles C4'-P-C4' energy: -209.041 flat angles P-C4'-P energy: -134.457 tors. eta vs tors. theta energy: -234.310 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: 4 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -2848.581219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.581219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.581219 (E_RNA) where: Base-Base interactions energy: -1941.626 where: short stacking energy: -812.199 Base-Backbone interact. energy: -1.981 local terms energy: -904.974471 where: bonds (distance) C4'-P energy: -175.986 bonds (distance) P-C4' energy: -176.860 flat angles C4'-P-C4' energy: -193.929 flat angles P-C4'-P energy: -143.333 tors. eta vs tors. theta energy: -214.867 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: 4, replica: 10 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -2738.131467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.131467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.131467 (E_RNA) where: Base-Base interactions energy: -1873.707 where: short stacking energy: -775.186 Base-Backbone interact. energy: -1.001 local terms energy: -863.423563 where: bonds (distance) C4'-P energy: -164.801 bonds (distance) P-C4' energy: -171.328 flat angles C4'-P-C4' energy: -188.924 flat angles P-C4'-P energy: -120.878 tors. eta vs tors. theta energy: -217.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -2513.498051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.498051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.498051 (E_RNA) where: Base-Base interactions energy: -1765.214 where: short stacking energy: -753.786 Base-Backbone interact. energy: -0.982 local terms energy: -747.302786 where: bonds (distance) C4'-P energy: -132.441 bonds (distance) P-C4' energy: -135.339 flat angles C4'-P-C4' energy: -173.611 flat angles P-C4'-P energy: -106.082 tors. eta vs tors. theta energy: -199.830 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: 6, replica: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -2426.979019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2426.979019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2426.979019 (E_RNA) where: Base-Base interactions energy: -1670.989 where: short stacking energy: -750.129 Base-Backbone interact. energy: -2.341 local terms energy: -753.648851 where: bonds (distance) C4'-P energy: -126.889 bonds (distance) P-C4' energy: -162.649 flat angles C4'-P-C4' energy: -173.816 flat angles P-C4'-P energy: -107.268 tors. eta vs tors. theta energy: -183.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1951.728182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1951.728182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1951.728182 (E_RNA) where: Base-Base interactions energy: -1290.277 where: short stacking energy: -580.209 Base-Backbone interact. energy: -1.395 local terms energy: -660.056363 where: bonds (distance) C4'-P energy: -141.061 bonds (distance) P-C4' energy: -154.715 flat angles C4'-P-C4' energy: -157.635 flat angles P-C4'-P energy: -87.529 tors. eta vs tors. theta energy: -119.116 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: 6 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1900.515223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.515223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.515223 (E_RNA) where: Base-Base interactions energy: -1210.249 where: short stacking energy: -567.229 Base-Backbone interact. energy: -2.867 local terms energy: -687.399332 where: bonds (distance) C4'-P energy: -144.204 bonds (distance) P-C4' energy: -132.983 flat angles C4'-P-C4' energy: -162.014 flat angles P-C4'-P energy: -108.466 tors. eta vs tors. theta energy: -139.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -1640.832368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.832368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.832368 (E_RNA) where: Base-Base interactions energy: -1044.610 where: short stacking energy: -501.184 Base-Backbone interact. energy: 3.562 local terms energy: -599.785095 where: bonds (distance) C4'-P energy: -126.598 bonds (distance) P-C4' energy: -129.893 flat angles C4'-P-C4' energy: -146.154 flat angles P-C4'-P energy: -108.765 tors. eta vs tors. theta energy: -88.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -854.087369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.087369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.087369 (E_RNA) where: Base-Base interactions energy: -406.028 where: short stacking energy: -248.163 Base-Backbone interact. energy: 8.203 local terms energy: -456.261902 where: bonds (distance) C4'-P energy: -146.208 bonds (distance) P-C4' energy: -140.075 flat angles C4'-P-C4' energy: -135.870 flat angles P-C4'-P energy: -56.149 tors. eta vs tors. theta energy: 22.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -3176.522208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.522208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.522208 (E_RNA) where: Base-Base interactions energy: -2183.723 where: short stacking energy: -967.444 Base-Backbone interact. energy: -5.220 local terms energy: -987.579983 where: bonds (distance) C4'-P energy: -187.302 bonds (distance) P-C4' energy: -173.870 flat angles C4'-P-C4' energy: -210.046 flat angles P-C4'-P energy: -131.088 tors. eta vs tors. theta energy: -285.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -3012.339168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3012.339168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3012.339168 (E_RNA) where: Base-Base interactions energy: -2095.759 where: short stacking energy: -884.481 Base-Backbone interact. energy: -1.485 local terms energy: -915.095420 where: bonds (distance) C4'-P energy: -181.206 bonds (distance) P-C4' energy: -178.456 flat angles C4'-P-C4' energy: -198.213 flat angles P-C4'-P energy: -116.428 tors. eta vs tors. theta energy: -240.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -2908.376342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2908.376342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2908.376342 (E_RNA) where: Base-Base interactions energy: -2023.899 where: short stacking energy: -848.960 Base-Backbone interact. energy: 2.514 local terms energy: -886.990567 where: bonds (distance) C4'-P energy: -175.501 bonds (distance) P-C4' energy: -184.824 flat angles C4'-P-C4' energy: -175.796 flat angles P-C4'-P energy: -114.697 tors. eta vs tors. theta energy: -236.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -2702.999266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.999266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.999266 (E_RNA) where: Base-Base interactions energy: -1854.055 where: short stacking energy: -788.978 Base-Backbone interact. energy: -6.399 local terms energy: -842.545691 where: bonds (distance) C4'-P energy: -152.346 bonds (distance) P-C4' energy: -178.119 flat angles C4'-P-C4' energy: -195.964 flat angles P-C4'-P energy: -119.127 tors. eta vs tors. theta energy: -196.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -2473.746010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.746010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.746010 (E_RNA) where: Base-Base interactions energy: -1692.948 where: short stacking energy: -711.912 Base-Backbone interact. energy: -2.594 local terms energy: -778.203458 where: bonds (distance) C4'-P energy: -150.562 bonds (distance) P-C4' energy: -149.072 flat angles C4'-P-C4' energy: -180.940 flat angles P-C4'-P energy: -119.369 tors. eta vs tors. theta energy: -178.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -2448.986896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.986896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.986896 (E_RNA) where: Base-Base interactions energy: -1675.288 where: short stacking energy: -736.196 Base-Backbone interact. energy: -2.460 local terms energy: -771.238403 where: bonds (distance) C4'-P energy: -154.856 bonds (distance) P-C4' energy: -153.902 flat angles C4'-P-C4' energy: -179.336 flat angles P-C4'-P energy: -108.715 tors. eta vs tors. theta energy: -174.430 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: 1 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1914.795416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1914.795416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1914.795416 (E_RNA) where: Base-Base interactions energy: -1241.452 where: short stacking energy: -565.212 Base-Backbone interact. energy: 2.058 local terms energy: -675.401739 where: bonds (distance) C4'-P energy: -168.846 bonds (distance) P-C4' energy: -141.823 flat angles C4'-P-C4' energy: -149.890 flat angles P-C4'-P energy: -85.943 tors. eta vs tors. theta energy: -128.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1960.541253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.541253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.541253 (E_RNA) where: Base-Base interactions energy: -1287.200 where: short stacking energy: -561.063 Base-Backbone interact. energy: -3.393 local terms energy: -669.948083 where: bonds (distance) C4'-P energy: -137.623 bonds (distance) P-C4' energy: -162.125 flat angles C4'-P-C4' energy: -157.333 flat angles P-C4'-P energy: -93.442 tors. eta vs tors. theta energy: -119.425 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: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -1681.963981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.963981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.963981 (E_RNA) where: Base-Base interactions energy: -1030.139 where: short stacking energy: -493.818 Base-Backbone interact. energy: -1.534 local terms energy: -650.290761 where: bonds (distance) C4'-P energy: -150.605 bonds (distance) P-C4' energy: -146.368 flat angles C4'-P-C4' energy: -142.101 flat angles P-C4'-P energy: -102.558 tors. eta vs tors. theta energy: -108.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -879.171597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.171597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.171597 (E_RNA) where: Base-Base interactions energy: -412.611 where: short stacking energy: -256.520 Base-Backbone interact. energy: 3.833 local terms energy: -470.392956 where: bonds (distance) C4'-P energy: -137.708 bonds (distance) P-C4' energy: -156.984 flat angles C4'-P-C4' energy: -113.921 flat angles P-C4'-P energy: -59.529 tors. eta vs tors. theta energy: -2.251 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: 1, replica: 7 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -3154.588009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.588009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.588009 (E_RNA) where: Base-Base interactions energy: -2173.382 where: short stacking energy: -932.866 Base-Backbone interact. energy: -7.001 local terms energy: -974.205635 where: bonds (distance) C4'-P energy: -181.303 bonds (distance) P-C4' energy: -183.088 flat angles C4'-P-C4' energy: -196.497 flat angles P-C4'-P energy: -142.430 tors. eta vs tors. theta energy: -270.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -2991.139200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.139200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.139200 (E_RNA) where: Base-Base interactions energy: -2053.991 where: short stacking energy: -879.411 Base-Backbone interact. energy: 2.092 local terms energy: -939.240374 where: bonds (distance) C4'-P energy: -188.171 bonds (distance) P-C4' energy: -178.951 flat angles C4'-P-C4' energy: -207.542 flat angles P-C4'-P energy: -126.428 tors. eta vs tors. theta energy: -238.148 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: 4 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -2857.181810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.181810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.181810 (E_RNA) where: Base-Base interactions energy: -2013.408 where: short stacking energy: -834.151 Base-Backbone interact. energy: -2.827 local terms energy: -840.946393 where: bonds (distance) C4'-P energy: -136.891 bonds (distance) P-C4' energy: -172.182 flat angles C4'-P-C4' energy: -192.653 flat angles P-C4'-P energy: -115.808 tors. eta vs tors. theta energy: -223.413 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: 10 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -2690.555433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.555433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.555433 (E_RNA) where: Base-Base interactions energy: -1850.364 where: short stacking energy: -782.650 Base-Backbone interact. energy: -5.932 local terms energy: -834.259771 where: bonds (distance) C4'-P energy: -153.481 bonds (distance) P-C4' energy: -161.642 flat angles C4'-P-C4' energy: -187.226 flat angles P-C4'-P energy: -129.046 tors. eta vs tors. theta energy: -202.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -2530.698225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.698225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.698225 (E_RNA) where: Base-Base interactions energy: -1784.704 where: short stacking energy: -756.810 Base-Backbone interact. energy: -2.245 local terms energy: -743.749664 where: bonds (distance) C4'-P energy: -144.929 bonds (distance) P-C4' energy: -150.174 flat angles C4'-P-C4' energy: -177.773 flat angles P-C4'-P energy: -103.221 tors. eta vs tors. theta energy: -167.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -2474.329725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.329725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.329725 (E_RNA) where: Base-Base interactions energy: -1657.478 where: short stacking energy: -710.188 Base-Backbone interact. energy: -1.762 local terms energy: -815.089904 where: bonds (distance) C4'-P energy: -173.816 bonds (distance) P-C4' energy: -163.058 flat angles C4'-P-C4' energy: -181.509 flat angles P-C4'-P energy: -105.942 tors. eta vs tors. theta energy: -190.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -2013.707325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.707325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.707325 (E_RNA) where: Base-Base interactions energy: -1318.321 where: short stacking energy: -614.090 Base-Backbone interact. energy: 2.437 local terms energy: -697.823503 where: bonds (distance) C4'-P energy: -153.630 bonds (distance) P-C4' energy: -145.836 flat angles C4'-P-C4' energy: -172.746 flat angles P-C4'-P energy: -76.590 tors. eta vs tors. theta energy: -149.022 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: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1942.874113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.874113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.874113 (E_RNA) where: Base-Base interactions energy: -1287.027 where: short stacking energy: -567.407 Base-Backbone interact. energy: -4.971 local terms energy: -650.876535 where: bonds (distance) C4'-P energy: -148.405 bonds (distance) P-C4' energy: -140.915 flat angles C4'-P-C4' energy: -160.907 flat angles P-C4'-P energy: -88.061 tors. eta vs tors. theta energy: -112.589 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: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -1605.971919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.971919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.971919 (E_RNA) where: Base-Base interactions energy: -965.960 where: short stacking energy: -476.103 Base-Backbone interact. energy: 3.044 local terms energy: -643.055615 where: bonds (distance) C4'-P energy: -130.603 bonds (distance) P-C4' energy: -163.759 flat angles C4'-P-C4' energy: -156.363 flat angles P-C4'-P energy: -101.085 tors. eta vs tors. theta energy: -91.246 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: 5 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -856.508761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.508761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.508761 (E_RNA) where: Base-Base interactions energy: -396.275 where: short stacking energy: -204.226 Base-Backbone interact. energy: -3.110 local terms energy: -457.123338 where: bonds (distance) C4'-P energy: -139.277 bonds (distance) P-C4' energy: -145.786 flat angles C4'-P-C4' energy: -118.862 flat angles P-C4'-P energy: -72.151 tors. eta vs tors. theta energy: 18.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -3133.868559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3133.868559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3133.868559 (E_RNA) where: Base-Base interactions energy: -2161.617 where: short stacking energy: -939.280 Base-Backbone interact. energy: -4.390 local terms energy: -967.862025 where: bonds (distance) C4'-P energy: -187.158 bonds (distance) P-C4' energy: -171.144 flat angles C4'-P-C4' energy: -201.389 flat angles P-C4'-P energy: -132.280 tors. eta vs tors. theta energy: -275.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -3007.948236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.948236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.948236 (E_RNA) where: Base-Base interactions energy: -2096.548 where: short stacking energy: -894.251 Base-Backbone interact. energy: -4.063 local terms energy: -907.336993 where: bonds (distance) C4'-P energy: -157.329 bonds (distance) P-C4' energy: -173.247 flat angles C4'-P-C4' energy: -206.169 flat angles P-C4'-P energy: -124.940 tors. eta vs tors. theta energy: -245.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -2854.765634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.765634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.765634 (E_RNA) where: Base-Base interactions energy: -1974.041 where: short stacking energy: -814.855 Base-Backbone interact. energy: -2.394 local terms energy: -878.330437 where: bonds (distance) C4'-P energy: -162.636 bonds (distance) P-C4' energy: -178.039 flat angles C4'-P-C4' energy: -187.466 flat angles P-C4'-P energy: -117.582 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: 10 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -2717.749507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.749507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.749507 (E_RNA) where: Base-Base interactions energy: -1902.370 where: short stacking energy: -837.478 Base-Backbone interact. energy: 0.164 local terms energy: -815.543697 where: bonds (distance) C4'-P energy: -154.610 bonds (distance) P-C4' energy: -149.942 flat angles C4'-P-C4' energy: -192.728 flat angles P-C4'-P energy: -121.525 tors. eta vs tors. theta energy: -196.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -2511.933003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.933003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.933003 (E_RNA) where: Base-Base interactions energy: -1698.833 where: short stacking energy: -734.119 Base-Backbone interact. energy: -4.997 local terms energy: -808.103176 where: bonds (distance) C4'-P energy: -150.465 bonds (distance) P-C4' energy: -176.875 flat angles C4'-P-C4' energy: -175.498 flat angles P-C4'-P energy: -111.875 tors. eta vs tors. theta energy: -193.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -2398.167292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.167292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.167292 (E_RNA) where: Base-Base interactions energy: -1608.888 where: short stacking energy: -716.668 Base-Backbone interact. energy: 2.425 local terms energy: -791.704240 where: bonds (distance) C4'-P energy: -138.855 bonds (distance) P-C4' energy: -162.494 flat angles C4'-P-C4' energy: -180.468 flat angles P-C4'-P energy: -116.678 tors. eta vs tors. theta energy: -193.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -2012.811509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.811509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.811509 (E_RNA) where: Base-Base interactions energy: -1326.531 where: short stacking energy: -603.140 Base-Backbone interact. energy: -3.773 local terms energy: -682.507661 where: bonds (distance) C4'-P energy: -144.472 bonds (distance) P-C4' energy: -132.116 flat angles C4'-P-C4' energy: -169.902 flat angles P-C4'-P energy: -100.263 tors. eta vs tors. theta energy: -135.754 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: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1917.782861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.782861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.782861 (E_RNA) where: Base-Base interactions energy: -1286.028 where: short stacking energy: -572.150 Base-Backbone interact. energy: 0.799 local terms energy: -632.554645 where: bonds (distance) C4'-P energy: -145.117 bonds (distance) P-C4' energy: -145.824 flat angles C4'-P-C4' energy: -129.914 flat angles P-C4'-P energy: -95.256 tors. eta vs tors. theta energy: -116.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -1622.187372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.187372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.187372 (E_RNA) where: Base-Base interactions energy: -1020.369 where: short stacking energy: -466.915 Base-Backbone interact. energy: 2.565 local terms energy: -604.383911 where: bonds (distance) C4'-P energy: -151.692 bonds (distance) P-C4' energy: -152.444 flat angles C4'-P-C4' energy: -138.078 flat angles P-C4'-P energy: -80.844 tors. eta vs tors. theta energy: -81.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -907.154755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.154755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.154755 (E_RNA) where: Base-Base interactions energy: -430.851 where: short stacking energy: -261.022 Base-Backbone interact. energy: 0.817 local terms energy: -477.120751 where: bonds (distance) C4'-P energy: -124.781 bonds (distance) P-C4' energy: -164.020 flat angles C4'-P-C4' energy: -128.589 flat angles P-C4'-P energy: -54.703 tors. eta vs tors. theta energy: -5.027 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: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -3139.763720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.763720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.763720 (E_RNA) where: Base-Base interactions energy: -2175.685 where: short stacking energy: -935.270 Base-Backbone interact. energy: -4.116 local terms energy: -959.962816 where: bonds (distance) C4'-P energy: -175.773 bonds (distance) P-C4' energy: -186.060 flat angles C4'-P-C4' energy: -197.722 flat angles P-C4'-P energy: -130.738 tors. eta vs tors. theta energy: -269.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -2991.965949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.965949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.965949 (E_RNA) where: Base-Base interactions energy: -2090.214 where: short stacking energy: -909.660 Base-Backbone interact. energy: 0.412 local terms energy: -902.163801 where: bonds (distance) C4'-P energy: -174.434 bonds (distance) P-C4' energy: -169.949 flat angles C4'-P-C4' energy: -193.131 flat angles P-C4'-P energy: -135.169 tors. eta vs tors. theta energy: -229.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -2889.171541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.171541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.171541 (E_RNA) where: Base-Base interactions energy: -2000.443 where: short stacking energy: -852.426 Base-Backbone interact. energy: -4.048 local terms energy: -884.680495 where: bonds (distance) C4'-P energy: -164.699 bonds (distance) P-C4' energy: -173.816 flat angles C4'-P-C4' energy: -181.075 flat angles P-C4'-P energy: -120.778 tors. eta vs tors. theta energy: -244.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -2722.648438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.648438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.648438 (E_RNA) where: Base-Base interactions energy: -1858.748 where: short stacking energy: -798.429 Base-Backbone interact. energy: -4.588 local terms energy: -859.312690 where: bonds (distance) C4'-P energy: -164.450 bonds (distance) P-C4' energy: -167.327 flat angles C4'-P-C4' energy: -186.883 flat angles P-C4'-P energy: -135.896 tors. eta vs tors. theta energy: -204.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -2475.758744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.758744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.758744 (E_RNA) where: Base-Base interactions energy: -1688.805 where: short stacking energy: -708.904 Base-Backbone interact. energy: -0.338 local terms energy: -786.615839 where: bonds (distance) C4'-P energy: -155.616 bonds (distance) P-C4' energy: -151.484 flat angles C4'-P-C4' energy: -166.074 flat angles P-C4'-P energy: -132.989 tors. eta vs tors. theta energy: -180.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -2365.228772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.228772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.228772 (E_RNA) where: Base-Base interactions energy: -1615.283 where: short stacking energy: -739.200 Base-Backbone interact. energy: -0.410 local terms energy: -749.536638 where: bonds (distance) C4'-P energy: -148.176 bonds (distance) P-C4' energy: -153.931 flat angles C4'-P-C4' energy: -164.698 flat angles P-C4'-P energy: -101.973 tors. eta vs tors. theta energy: -180.759 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: 7, replica: 6 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -2035.112832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.112832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.112832 (E_RNA) where: Base-Base interactions energy: -1348.289 where: short stacking energy: -618.937 Base-Backbone interact. energy: -6.052 local terms energy: -680.771836 where: bonds (distance) C4'-P energy: -143.752 bonds (distance) P-C4' energy: -159.431 flat angles C4'-P-C4' energy: -157.757 flat angles P-C4'-P energy: -90.919 tors. eta vs tors. theta energy: -128.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1892.435550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.435550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.435550 (E_RNA) where: Base-Base interactions energy: -1233.250 where: short stacking energy: -558.445 Base-Backbone interact. energy: -3.559 local terms energy: -655.626625 where: bonds (distance) C4'-P energy: -122.258 bonds (distance) P-C4' energy: -156.313 flat angles C4'-P-C4' energy: -159.972 flat angles P-C4'-P energy: -99.806 tors. eta vs tors. theta energy: -117.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -1580.562036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.562036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.562036 (E_RNA) where: Base-Base interactions energy: -1010.588 where: short stacking energy: -500.311 Base-Backbone interact. energy: 2.319 local terms energy: -572.293237 where: bonds (distance) C4'-P energy: -140.417 bonds (distance) P-C4' energy: -150.122 flat angles C4'-P-C4' energy: -133.156 flat angles P-C4'-P energy: -74.100 tors. eta vs tors. theta energy: -74.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -897.970973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.970973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.970973 (E_RNA) where: Base-Base interactions energy: -465.556 where: short stacking energy: -253.765 Base-Backbone interact. energy: 8.850 local terms energy: -441.265247 where: bonds (distance) C4'-P energy: -141.628 bonds (distance) P-C4' energy: -130.190 flat angles C4'-P-C4' energy: -125.501 flat angles P-C4'-P energy: -61.065 tors. eta vs tors. theta energy: 17.119 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: 1, replica: 7 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -3141.228064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.228064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.228064 (E_RNA) where: Base-Base interactions energy: -2185.061 where: short stacking energy: -928.887 Base-Backbone interact. energy: -1.054 local terms energy: -955.113765 where: bonds (distance) C4'-P energy: -178.863 bonds (distance) P-C4' energy: -175.267 flat angles C4'-P-C4' energy: -187.115 flat angles P-C4'-P energy: -143.021 tors. eta vs tors. theta energy: -270.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -2995.251041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.251041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.251041 (E_RNA) where: Base-Base interactions energy: -2060.664 where: short stacking energy: -872.075 Base-Backbone interact. energy: -0.033 local terms energy: -934.554312 where: bonds (distance) C4'-P energy: -180.585 bonds (distance) P-C4' energy: -185.029 flat angles C4'-P-C4' energy: -203.583 flat angles P-C4'-P energy: -123.650 tors. eta vs tors. theta energy: -241.707 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: 3, replica: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -2889.295943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.295943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.295943 (E_RNA) where: Base-Base interactions energy: -2010.861 where: short stacking energy: -830.388 Base-Backbone interact. energy: -0.949 local terms energy: -877.486783 where: bonds (distance) C4'-P energy: -163.843 bonds (distance) P-C4' energy: -167.565 flat angles C4'-P-C4' energy: -188.673 flat angles P-C4'-P energy: -134.269 tors. eta vs tors. theta energy: -223.136 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: 10 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -2663.657460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.657460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.657460 (E_RNA) where: Base-Base interactions energy: -1846.744 where: short stacking energy: -765.404 Base-Backbone interact. energy: -0.165 local terms energy: -816.748293 where: bonds (distance) C4'-P energy: -140.373 bonds (distance) P-C4' energy: -170.321 flat angles C4'-P-C4' energy: -172.206 flat angles P-C4'-P energy: -136.671 tors. eta vs tors. theta energy: -197.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -2555.372332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.372332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.372332 (E_RNA) where: Base-Base interactions energy: -1704.096 where: short stacking energy: -771.298 Base-Backbone interact. energy: -2.243 local terms energy: -849.033652 where: bonds (distance) C4'-P energy: -159.187 bonds (distance) P-C4' energy: -163.008 flat angles C4'-P-C4' energy: -197.241 flat angles P-C4'-P energy: -120.507 tors. eta vs tors. theta energy: -209.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -2359.864502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.864502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.864502 (E_RNA) where: Base-Base interactions energy: -1600.519 where: short stacking energy: -654.043 Base-Backbone interact. energy: -1.698 local terms energy: -757.646929 where: bonds (distance) C4'-P energy: -149.055 bonds (distance) P-C4' energy: -162.726 flat angles C4'-P-C4' energy: -175.257 flat angles P-C4'-P energy: -107.920 tors. eta vs tors. theta energy: -162.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -2029.547224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.547224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.547224 (E_RNA) where: Base-Base interactions energy: -1306.997 where: short stacking energy: -574.173 Base-Backbone interact. energy: 0.012 local terms energy: -722.562349 where: bonds (distance) C4'-P energy: -140.491 bonds (distance) P-C4' energy: -170.037 flat angles C4'-P-C4' energy: -163.089 flat angles P-C4'-P energy: -109.296 tors. eta vs tors. theta energy: -139.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1806.474874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.474874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.474874 (E_RNA) where: Base-Base interactions energy: -1170.436 where: short stacking energy: -547.019 Base-Backbone interact. energy: 7.179 local terms energy: -643.217103 where: bonds (distance) C4'-P energy: -149.895 bonds (distance) P-C4' energy: -136.100 flat angles C4'-P-C4' energy: -144.065 flat angles P-C4'-P energy: -102.856 tors. eta vs tors. theta energy: -110.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -1568.886853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.886853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.886853 (E_RNA) where: Base-Base interactions energy: -959.094 where: short stacking energy: -454.941 Base-Backbone interact. energy: 0.582 local terms energy: -610.374243 where: bonds (distance) C4'-P energy: -163.489 bonds (distance) P-C4' energy: -147.826 flat angles C4'-P-C4' energy: -148.061 flat angles P-C4'-P energy: -80.743 tors. eta vs tors. theta energy: -70.255 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: 5 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -888.746534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.746534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.746534 (E_RNA) where: Base-Base interactions energy: -429.743 where: short stacking energy: -286.101 Base-Backbone interact. energy: 5.564 local terms energy: -464.567401 where: bonds (distance) C4'-P energy: -121.675 bonds (distance) P-C4' energy: -169.498 flat angles C4'-P-C4' energy: -115.563 flat angles P-C4'-P energy: -66.723 tors. eta vs tors. theta energy: 8.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -3151.424201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.424201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.424201 (E_RNA) where: Base-Base interactions energy: -2198.296 where: short stacking energy: -911.523 Base-Backbone interact. energy: -6.904 local terms energy: -946.224516 where: bonds (distance) C4'-P energy: -171.218 bonds (distance) P-C4' energy: -177.565 flat angles C4'-P-C4' energy: -196.455 flat angles P-C4'-P energy: -132.271 tors. eta vs tors. theta energy: -268.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -2990.239629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.239629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.239629 (E_RNA) where: Base-Base interactions energy: -2047.250 where: short stacking energy: -866.048 Base-Backbone interact. energy: -3.544 local terms energy: -939.446065 where: bonds (distance) C4'-P energy: -184.465 bonds (distance) P-C4' energy: -176.145 flat angles C4'-P-C4' energy: -214.990 flat angles P-C4'-P energy: -124.393 tors. eta vs tors. theta energy: -239.454 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: 4 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -2867.292649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.292649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.292649 (E_RNA) where: Base-Base interactions energy: -1988.639 where: short stacking energy: -826.080 Base-Backbone interact. energy: -6.347 local terms energy: -872.305910 where: bonds (distance) C4'-P energy: -165.760 bonds (distance) P-C4' energy: -153.758 flat angles C4'-P-C4' energy: -192.615 flat angles P-C4'-P energy: -130.249 tors. eta vs tors. theta energy: -229.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -2693.396783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.396783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.396783 (E_RNA) where: Base-Base interactions energy: -1861.649 where: short stacking energy: -767.122 Base-Backbone interact. energy: 0.118 local terms energy: -831.865494 where: bonds (distance) C4'-P energy: -172.532 bonds (distance) P-C4' energy: -150.475 flat angles C4'-P-C4' energy: -174.654 flat angles P-C4'-P energy: -128.139 tors. eta vs tors. theta energy: -206.065 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: 2 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -2530.370651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.370651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.370651 (E_RNA) where: Base-Base interactions energy: -1683.490 where: short stacking energy: -770.702 Base-Backbone interact. energy: -0.698 local terms energy: -846.182587 where: bonds (distance) C4'-P energy: -165.269 bonds (distance) P-C4' energy: -163.162 flat angles C4'-P-C4' energy: -200.079 flat angles P-C4'-P energy: -112.310 tors. eta vs tors. theta energy: -205.363 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: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -2315.094033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.094033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.094033 (E_RNA) where: Base-Base interactions energy: -1547.017 where: short stacking energy: -687.435 Base-Backbone interact. energy: -3.292 local terms energy: -764.784690 where: bonds (distance) C4'-P energy: -146.924 bonds (distance) P-C4' energy: -163.465 flat angles C4'-P-C4' energy: -188.246 flat angles P-C4'-P energy: -101.822 tors. eta vs tors. theta energy: -164.327 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: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -2070.860387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.860387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.860387 (E_RNA) where: Base-Base interactions energy: -1386.639 where: short stacking energy: -609.440 Base-Backbone interact. energy: -3.442 local terms energy: -680.779968 where: bonds (distance) C4'-P energy: -137.212 bonds (distance) P-C4' energy: -160.483 flat angles C4'-P-C4' energy: -154.756 flat angles P-C4'-P energy: -90.710 tors. eta vs tors. theta energy: -137.619 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: 1 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1907.217510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.217510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.217510 (E_RNA) where: Base-Base interactions energy: -1242.076 where: short stacking energy: -549.391 Base-Backbone interact. energy: 4.964 local terms energy: -670.105291 where: bonds (distance) C4'-P energy: -144.785 bonds (distance) P-C4' energy: -169.716 flat angles C4'-P-C4' energy: -150.473 flat angles P-C4'-P energy: -80.869 tors. eta vs tors. theta energy: -124.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -1621.560269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.560269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.560269 (E_RNA) where: Base-Base interactions energy: -1047.210 where: short stacking energy: -498.347 Base-Backbone interact. energy: 1.476 local terms energy: -575.825841 where: bonds (distance) C4'-P energy: -156.522 bonds (distance) P-C4' energy: -115.974 flat angles C4'-P-C4' energy: -143.429 flat angles P-C4'-P energy: -77.254 tors. eta vs tors. theta energy: -82.647 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: 5 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -894.298948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.298948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.298948 (E_RNA) where: Base-Base interactions energy: -395.739 where: short stacking energy: -247.135 Base-Backbone interact. energy: 3.679 local terms energy: -502.239040 where: bonds (distance) C4'-P energy: -144.068 bonds (distance) P-C4' energy: -151.204 flat angles C4'-P-C4' energy: -137.530 flat angles P-C4'-P energy: -75.703 tors. eta vs tors. theta energy: 6.266 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: 7 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -3132.560635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.560635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.560635 (E_RNA) where: Base-Base interactions energy: -2178.205 where: short stacking energy: -917.017 Base-Backbone interact. energy: -0.656 local terms energy: -953.700122 where: bonds (distance) C4'-P energy: -184.188 bonds (distance) P-C4' energy: -164.345 flat angles C4'-P-C4' energy: -198.614 flat angles P-C4'-P energy: -136.108 tors. eta vs tors. theta energy: -270.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -2970.951518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.951518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.951518 (E_RNA) where: Base-Base interactions energy: -2049.340 where: short stacking energy: -849.087 Base-Backbone interact. energy: -5.223 local terms energy: -916.388818 where: bonds (distance) C4'-P energy: -185.045 bonds (distance) P-C4' energy: -173.338 flat angles C4'-P-C4' energy: -194.405 flat angles P-C4'-P energy: -135.373 tors. eta vs tors. theta energy: -228.227 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: 3, replica: 4 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -2906.810338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.810338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.810338 (E_RNA) where: Base-Base interactions energy: -2020.925 where: short stacking energy: -836.497 Base-Backbone interact. energy: -1.515 local terms energy: -884.371038 where: bonds (distance) C4'-P energy: -166.053 bonds (distance) P-C4' energy: -177.777 flat angles C4'-P-C4' energy: -183.576 flat angles P-C4'-P energy: -131.864 tors. eta vs tors. theta energy: -225.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -2720.774067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2720.774067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2720.774067 (E_RNA) where: Base-Base interactions energy: -1873.364 where: short stacking energy: -787.752 Base-Backbone interact. energy: -6.513 local terms energy: -840.896504 where: bonds (distance) C4'-P energy: -182.320 bonds (distance) P-C4' energy: -166.959 flat angles C4'-P-C4' energy: -178.471 flat angles P-C4'-P energy: -102.111 tors. eta vs tors. theta energy: -211.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -2492.728354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.728354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.728354 (E_RNA) where: Base-Base interactions energy: -1688.459 where: short stacking energy: -758.017 Base-Backbone interact. energy: -2.128 local terms energy: -802.142324 where: bonds (distance) C4'-P energy: -154.183 bonds (distance) P-C4' energy: -158.708 flat angles C4'-P-C4' energy: -180.329 flat angles P-C4'-P energy: -120.590 tors. eta vs tors. theta energy: -188.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -2339.195359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.195359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.195359 (E_RNA) where: Base-Base interactions energy: -1571.527 where: short stacking energy: -711.256 Base-Backbone interact. energy: 1.412 local terms energy: -769.079843 where: bonds (distance) C4'-P energy: -146.328 bonds (distance) P-C4' energy: -157.526 flat angles C4'-P-C4' energy: -172.083 flat angles P-C4'-P energy: -118.670 tors. eta vs tors. theta energy: -174.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -2043.832589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2043.832589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2043.832589 (E_RNA) where: Base-Base interactions energy: -1322.812 where: short stacking energy: -597.204 Base-Backbone interact. energy: -2.689 local terms energy: -718.332025 where: bonds (distance) C4'-P energy: -128.030 bonds (distance) P-C4' energy: -180.112 flat angles C4'-P-C4' energy: -169.271 flat angles P-C4'-P energy: -112.862 tors. eta vs tors. theta energy: -128.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1923.757723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.757723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.757723 (E_RNA) where: Base-Base interactions energy: -1225.512 where: short stacking energy: -549.486 Base-Backbone interact. energy: -0.177 local terms energy: -698.068652 where: bonds (distance) C4'-P energy: -140.882 bonds (distance) P-C4' energy: -162.928 flat angles C4'-P-C4' energy: -159.108 flat angles P-C4'-P energy: -109.539 tors. eta vs tors. theta energy: -125.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -1610.409254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.409254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.409254 (E_RNA) where: Base-Base interactions energy: -1034.639 where: short stacking energy: -485.460 Base-Backbone interact. energy: -3.807 local terms energy: -571.963793 where: bonds (distance) C4'-P energy: -127.955 bonds (distance) P-C4' energy: -130.193 flat angles C4'-P-C4' energy: -149.636 flat angles P-C4'-P energy: -81.368 tors. eta vs tors. theta energy: -82.812 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: 5 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -921.731943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.731943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.731943 (E_RNA) where: Base-Base interactions energy: -410.485 where: short stacking energy: -259.725 Base-Backbone interact. energy: 0.210 local terms energy: -511.456678 where: bonds (distance) C4'-P energy: -156.402 bonds (distance) P-C4' energy: -147.260 flat angles C4'-P-C4' energy: -124.517 flat angles P-C4'-P energy: -71.881 tors. eta vs tors. theta energy: -11.397 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: 7 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -3140.163020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.163020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.163020 (E_RNA) where: Base-Base interactions energy: -2160.619 where: short stacking energy: -950.750 Base-Backbone interact. energy: -1.780 local terms energy: -977.763631 where: bonds (distance) C4'-P energy: -175.448 bonds (distance) P-C4' energy: -183.817 flat angles C4'-P-C4' energy: -202.200 flat angles P-C4'-P energy: -133.444 tors. eta vs tors. theta energy: -282.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -2989.360395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.360395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.360395 (E_RNA) where: Base-Base interactions energy: -2059.411 where: short stacking energy: -872.225 Base-Backbone interact. energy: -5.897 local terms energy: -924.052318 where: bonds (distance) C4'-P energy: -168.215 bonds (distance) P-C4' energy: -167.179 flat angles C4'-P-C4' energy: -200.587 flat angles P-C4'-P energy: -130.582 tors. eta vs tors. theta energy: -257.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -2873.256681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.256681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.256681 (E_RNA) where: Base-Base interactions energy: -1948.636 where: short stacking energy: -804.077 Base-Backbone interact. energy: -4.916 local terms energy: -919.704881 where: bonds (distance) C4'-P energy: -180.536 bonds (distance) P-C4' energy: -194.036 flat angles C4'-P-C4' energy: -201.174 flat angles P-C4'-P energy: -110.347 tors. eta vs tors. theta energy: -233.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -2651.562183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.562183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.562183 (E_RNA) where: Base-Base interactions energy: -1834.939 where: short stacking energy: -772.186 Base-Backbone interact. energy: -2.113 local terms energy: -814.510325 where: bonds (distance) C4'-P energy: -147.714 bonds (distance) P-C4' energy: -162.014 flat angles C4'-P-C4' energy: -180.316 flat angles P-C4'-P energy: -117.058 tors. eta vs tors. theta energy: -207.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -2509.031771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.031771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.031771 (E_RNA) where: Base-Base interactions energy: -1684.272 where: short stacking energy: -741.307 Base-Backbone interact. energy: -2.734 local terms energy: -822.025948 where: bonds (distance) C4'-P energy: -173.861 bonds (distance) P-C4' energy: -155.072 flat angles C4'-P-C4' energy: -181.506 flat angles P-C4'-P energy: -102.694 tors. eta vs tors. theta energy: -208.893 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: 9 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -2367.693193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.693193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.693193 (E_RNA) where: Base-Base interactions energy: -1596.821 where: short stacking energy: -686.676 Base-Backbone interact. energy: 3.769 local terms energy: -774.640823 where: bonds (distance) C4'-P energy: -150.423 bonds (distance) P-C4' energy: -163.423 flat angles C4'-P-C4' energy: -176.762 flat angles P-C4'-P energy: -118.493 tors. eta vs tors. theta energy: -165.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1935.547445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.547445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.547445 (E_RNA) where: Base-Base interactions energy: -1250.820 where: short stacking energy: -548.487 Base-Backbone interact. energy: 0.138 local terms energy: -684.865949 where: bonds (distance) C4'-P energy: -134.886 bonds (distance) P-C4' energy: -155.450 flat angles C4'-P-C4' energy: -163.776 flat angles P-C4'-P energy: -105.929 tors. eta vs tors. theta energy: -124.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1935.420761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.420761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.420761 (E_RNA) where: Base-Base interactions energy: -1249.342 where: short stacking energy: -576.278 Base-Backbone interact. energy: -1.607 local terms energy: -684.471513 where: bonds (distance) C4'-P energy: -145.220 bonds (distance) P-C4' energy: -156.070 flat angles C4'-P-C4' energy: -148.159 flat angles P-C4'-P energy: -107.458 tors. eta vs tors. theta energy: -127.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -1615.747427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.747427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.747427 (E_RNA) where: Base-Base interactions energy: -1036.231 where: short stacking energy: -456.150 Base-Backbone interact. energy: 2.498 local terms energy: -582.015120 where: bonds (distance) C4'-P energy: -159.072 bonds (distance) P-C4' energy: -132.496 flat angles C4'-P-C4' energy: -129.084 flat angles P-C4'-P energy: -83.365 tors. eta vs tors. theta energy: -77.998 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: 5 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -991.917358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.917358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.917358 (E_RNA) where: Base-Base interactions energy: -517.433 where: short stacking energy: -277.590 Base-Backbone interact. energy: -0.619 local terms energy: -473.865885 where: bonds (distance) C4'-P energy: -121.472 bonds (distance) P-C4' energy: -174.046 flat angles C4'-P-C4' energy: -112.715 flat angles P-C4'-P energy: -57.388 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: 7 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -3140.428127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.428127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.428127 (E_RNA) where: Base-Base interactions energy: -2145.020 where: short stacking energy: -924.480 Base-Backbone interact. energy: -5.870 local terms energy: -989.537841 where: bonds (distance) C4'-P energy: -194.698 bonds (distance) P-C4' energy: -185.932 flat angles C4'-P-C4' energy: -206.285 flat angles P-C4'-P energy: -128.981 tors. eta vs tors. theta energy: -273.642 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: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -3004.944872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.944872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.944872 (E_RNA) where: Base-Base interactions energy: -2087.252 where: short stacking energy: -888.868 Base-Backbone interact. energy: 0.967 local terms energy: -918.659384 where: bonds (distance) C4'-P energy: -168.763 bonds (distance) P-C4' energy: -162.116 flat angles C4'-P-C4' energy: -202.582 flat angles P-C4'-P energy: -143.077 tors. eta vs tors. theta energy: -242.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -2874.755317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.755317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.755317 (E_RNA) where: Base-Base interactions energy: -1961.106 where: short stacking energy: -859.293 Base-Backbone interact. energy: -5.992 local terms energy: -907.657665 where: bonds (distance) C4'-P energy: -150.350 bonds (distance) P-C4' energy: -179.632 flat angles C4'-P-C4' energy: -202.635 flat angles P-C4'-P energy: -131.505 tors. eta vs tors. theta energy: -243.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -2696.797143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.797143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.797143 (E_RNA) where: Base-Base interactions energy: -1855.802 where: short stacking energy: -813.884 Base-Backbone interact. energy: 0.559 local terms energy: -841.553522 where: bonds (distance) C4'-P energy: -146.057 bonds (distance) P-C4' energy: -177.755 flat angles C4'-P-C4' energy: -173.717 flat angles P-C4'-P energy: -134.936 tors. eta vs tors. theta energy: -209.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -2506.296870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.296870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.296870 (E_RNA) where: Base-Base interactions energy: -1692.903 where: short stacking energy: -748.486 Base-Backbone interact. energy: -1.382 local terms energy: -812.012122 where: bonds (distance) C4'-P energy: -161.838 bonds (distance) P-C4' energy: -165.672 flat angles C4'-P-C4' energy: -175.661 flat angles P-C4'-P energy: -109.056 tors. eta vs tors. theta energy: -199.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -2312.369430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2312.369430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2312.369430 (E_RNA) where: Base-Base interactions energy: -1586.340 where: short stacking energy: -708.052 Base-Backbone interact. energy: 11.953 local terms energy: -737.982855 where: bonds (distance) C4'-P energy: -136.049 bonds (distance) P-C4' energy: -156.691 flat angles C4'-P-C4' energy: -154.333 flat angles P-C4'-P energy: -114.870 tors. eta vs tors. theta energy: -176.042 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: 6 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -2065.505242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2065.505242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2065.505242 (E_RNA) where: Base-Base interactions energy: -1355.737 where: short stacking energy: -626.149 Base-Backbone interact. energy: -0.741 local terms energy: -709.027910 where: bonds (distance) C4'-P energy: -148.825 bonds (distance) P-C4' energy: -152.373 flat angles C4'-P-C4' energy: -170.296 flat angles P-C4'-P energy: -92.121 tors. eta vs tors. theta energy: -145.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -2026.789436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.789436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.789436 (E_RNA) where: Base-Base interactions energy: -1406.502 where: short stacking energy: -628.444 Base-Backbone interact. energy: 1.349 local terms energy: -621.635942 where: bonds (distance) C4'-P energy: -133.555 bonds (distance) P-C4' energy: -119.279 flat angles C4'-P-C4' energy: -145.790 flat angles P-C4'-P energy: -98.237 tors. eta vs tors. theta energy: -124.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -1691.326769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.326769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.326769 (E_RNA) where: Base-Base interactions energy: -1039.990 where: short stacking energy: -502.697 Base-Backbone interact. energy: 4.139 local terms energy: -655.475541 where: bonds (distance) C4'-P energy: -143.023 bonds (distance) P-C4' energy: -157.788 flat angles C4'-P-C4' energy: -147.959 flat angles P-C4'-P energy: -85.763 tors. eta vs tors. theta energy: -120.943 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: 5 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -972.889455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.889455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.889455 (E_RNA) where: Base-Base interactions energy: -489.925 where: short stacking energy: -269.432 Base-Backbone interact. energy: -0.185 local terms energy: -482.779611 where: bonds (distance) C4'-P energy: -152.766 bonds (distance) P-C4' energy: -146.943 flat angles C4'-P-C4' energy: -106.949 flat angles P-C4'-P energy: -79.003 tors. eta vs tors. theta energy: 2.881 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: 1, replica: 7 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -3161.924767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.924767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.924767 (E_RNA) where: Base-Base interactions energy: -2174.068 where: short stacking energy: -934.789 Base-Backbone interact. energy: -2.595 local terms energy: -985.261249 where: bonds (distance) C4'-P energy: -176.444 bonds (distance) P-C4' energy: -192.460 flat angles C4'-P-C4' energy: -199.216 flat angles P-C4'-P energy: -145.786 tors. eta vs tors. theta energy: -271.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -2997.671117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.671117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.671117 (E_RNA) where: Base-Base interactions energy: -2073.075 where: short stacking energy: -873.380 Base-Backbone interact. energy: -4.936 local terms energy: -919.659652 where: bonds (distance) C4'-P energy: -159.799 bonds (distance) P-C4' energy: -184.682 flat angles C4'-P-C4' energy: -199.980 flat angles P-C4'-P energy: -131.814 tors. eta vs tors. theta energy: -243.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -2906.745763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.745763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.745763 (E_RNA) where: Base-Base interactions energy: -2009.978 where: short stacking energy: -848.233 Base-Backbone interact. energy: -3.871 local terms energy: -892.896127 where: bonds (distance) C4'-P energy: -168.961 bonds (distance) P-C4' energy: -159.170 flat angles C4'-P-C4' energy: -198.237 flat angles P-C4'-P energy: -120.351 tors. eta vs tors. theta energy: -246.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -2634.344318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.344318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.344318 (E_RNA) where: Base-Base interactions energy: -1801.030 where: short stacking energy: -760.734 Base-Backbone interact. energy: 2.086 local terms energy: -835.400254 where: bonds (distance) C4'-P energy: -183.204 bonds (distance) P-C4' energy: -151.704 flat angles C4'-P-C4' energy: -181.369 flat angles P-C4'-P energy: -127.940 tors. eta vs tors. theta energy: -191.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -2546.556816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.556816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.556816 (E_RNA) where: Base-Base interactions energy: -1711.041 where: short stacking energy: -771.552 Base-Backbone interact. energy: 0.115 local terms energy: -835.630931 where: bonds (distance) C4'-P energy: -156.111 bonds (distance) P-C4' energy: -169.255 flat angles C4'-P-C4' energy: -181.440 flat angles P-C4'-P energy: -129.003 tors. eta vs tors. theta energy: -199.822 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: 6, replica: 9 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -2393.011002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2393.011002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2393.011002 (E_RNA) where: Base-Base interactions energy: -1649.099 where: short stacking energy: -667.892 Base-Backbone interact. energy: -4.017 local terms energy: -739.894747 where: bonds (distance) C4'-P energy: -139.278 bonds (distance) P-C4' energy: -166.281 flat angles C4'-P-C4' energy: -148.480 flat angles P-C4'-P energy: -110.841 tors. eta vs tors. theta energy: -175.016 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: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -2118.999035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2118.999035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2118.999035 (E_RNA) where: Base-Base interactions energy: -1368.431 where: short stacking energy: -606.118 Base-Backbone interact. energy: -4.476 local terms energy: -746.092264 where: bonds (distance) C4'-P energy: -138.671 bonds (distance) P-C4' energy: -174.561 flat angles C4'-P-C4' energy: -163.100 flat angles P-C4'-P energy: -110.777 tors. eta vs tors. theta energy: -158.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -2003.965654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2003.965654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2003.965654 (E_RNA) where: Base-Base interactions energy: -1336.252 where: short stacking energy: -596.426 Base-Backbone interact. energy: -0.198 local terms energy: -667.515978 where: bonds (distance) C4'-P energy: -136.424 bonds (distance) P-C4' energy: -151.038 flat angles C4'-P-C4' energy: -161.423 flat angles P-C4'-P energy: -98.932 tors. eta vs tors. theta energy: -119.698 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: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -1603.473933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.473933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.473933 (E_RNA) where: Base-Base interactions energy: -993.703 where: short stacking energy: -489.126 Base-Backbone interact. energy: -2.125 local terms energy: -607.646085 where: bonds (distance) C4'-P energy: -132.512 bonds (distance) P-C4' energy: -135.336 flat angles C4'-P-C4' energy: -139.657 flat angles P-C4'-P energy: -100.201 tors. eta vs tors. theta energy: -99.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -1015.680365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.680365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.680365 (E_RNA) where: Base-Base interactions energy: -510.647 where: short stacking energy: -293.719 Base-Backbone interact. energy: 2.104 local terms energy: -507.136996 where: bonds (distance) C4'-P energy: -152.604 bonds (distance) P-C4' energy: -159.179 flat angles C4'-P-C4' energy: -140.838 flat angles P-C4'-P energy: -56.586 tors. eta vs tors. theta energy: 2.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -3183.817481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.817481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.817481 (E_RNA) where: Base-Base interactions energy: -2202.242 where: short stacking energy: -948.859 Base-Backbone interact. energy: -3.316 local terms energy: -978.259337 where: bonds (distance) C4'-P energy: -177.343 bonds (distance) P-C4' energy: -173.173 flat angles C4'-P-C4' energy: -212.082 flat angles P-C4'-P energy: -134.158 tors. eta vs tors. theta energy: -281.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -2988.245146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.245146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.245146 (E_RNA) where: Base-Base interactions energy: -2071.047 where: short stacking energy: -866.066 Base-Backbone interact. energy: -1.260 local terms energy: -915.937684 where: bonds (distance) C4'-P energy: -174.717 bonds (distance) P-C4' energy: -172.118 flat angles C4'-P-C4' energy: -202.727 flat angles P-C4'-P energy: -123.965 tors. eta vs tors. theta energy: -242.411 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: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -2863.410414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.410414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.410414 (E_RNA) where: Base-Base interactions energy: -1951.868 where: short stacking energy: -843.180 Base-Backbone interact. energy: 0.848 local terms energy: -912.390189 where: bonds (distance) C4'-P energy: -172.669 bonds (distance) P-C4' energy: -167.893 flat angles C4'-P-C4' energy: -195.783 flat angles P-C4'-P energy: -128.637 tors. eta vs tors. theta energy: -247.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -2665.049767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.049767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.049767 (E_RNA) where: Base-Base interactions energy: -1831.682 where: short stacking energy: -741.763 Base-Backbone interact. energy: -4.719 local terms energy: -828.649152 where: bonds (distance) C4'-P energy: -170.082 bonds (distance) P-C4' energy: -161.892 flat angles C4'-P-C4' energy: -187.204 flat angles P-C4'-P energy: -131.769 tors. eta vs tors. theta energy: -177.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -2548.327568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.327568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.327568 (E_RNA) where: Base-Base interactions energy: -1742.788 where: short stacking energy: -788.150 Base-Backbone interact. energy: -3.060 local terms energy: -802.479599 where: bonds (distance) C4'-P energy: -156.679 bonds (distance) P-C4' energy: -149.137 flat angles C4'-P-C4' energy: -174.182 flat angles P-C4'-P energy: -120.821 tors. eta vs tors. theta energy: -201.660 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: 142 Temperature: 1.150000 Total energy: -2375.880566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.880566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.880566 (E_RNA) where: Base-Base interactions energy: -1620.314 where: short stacking energy: -720.409 Base-Backbone interact. energy: -3.411 local terms energy: -752.156054 where: bonds (distance) C4'-P energy: -158.318 bonds (distance) P-C4' energy: -141.609 flat angles C4'-P-C4' energy: -171.167 flat angles P-C4'-P energy: -103.181 tors. eta vs tors. theta energy: -177.882 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: 7, replica: 1 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -2091.197440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2091.197440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2091.197440 (E_RNA) where: Base-Base interactions energy: -1376.204 where: short stacking energy: -619.731 Base-Backbone interact. energy: -4.489 local terms energy: -710.504276 where: bonds (distance) C4'-P energy: -152.719 bonds (distance) P-C4' energy: -158.140 flat angles C4'-P-C4' energy: -165.443 flat angles P-C4'-P energy: -79.478 tors. eta vs tors. theta energy: -154.725 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: 142 Temperature: 1.250000 Total energy: -1981.195093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1981.195093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1981.195093 (E_RNA) where: Base-Base interactions energy: -1316.579 where: short stacking energy: -594.402 Base-Backbone interact. energy: -2.044 local terms energy: -662.571693 where: bonds (distance) C4'-P energy: -151.527 bonds (distance) P-C4' energy: -142.256 flat angles C4'-P-C4' energy: -151.008 flat angles P-C4'-P energy: -79.732 tors. eta vs tors. theta energy: -138.049 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: 9, replica: 3 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -1635.016183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.016183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.016183 (E_RNA) where: Base-Base interactions energy: -1004.025 where: short stacking energy: -510.647 Base-Backbone interact. energy: -0.264 local terms energy: -630.726937 where: bonds (distance) C4'-P energy: -152.663 bonds (distance) P-C4' energy: -132.527 flat angles C4'-P-C4' energy: -157.065 flat angles P-C4'-P energy: -85.194 tors. eta vs tors. theta energy: -103.278 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: 5 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -1022.433741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.433741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.433741 (E_RNA) where: Base-Base interactions energy: -505.528 where: short stacking energy: -260.571 Base-Backbone interact. energy: -1.320 local terms energy: -515.586060 where: bonds (distance) C4'-P energy: -117.063 bonds (distance) P-C4' energy: -175.227 flat angles C4'-P-C4' energy: -129.742 flat angles P-C4'-P energy: -83.955 tors. eta vs tors. theta energy: -9.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -3196.690986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.690986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.690986 (E_RNA) where: Base-Base interactions energy: -2204.103 where: short stacking energy: -955.355 Base-Backbone interact. energy: -3.123 local terms energy: -989.464977 where: bonds (distance) C4'-P energy: -175.038 bonds (distance) P-C4' energy: -183.849 flat angles C4'-P-C4' energy: -214.410 flat angles P-C4'-P energy: -133.197 tors. eta vs tors. theta energy: -282.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -2961.607268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2961.607268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2961.607268 (E_RNA) where: Base-Base interactions energy: -2044.668 where: short stacking energy: -881.008 Base-Backbone interact. energy: -1.852 local terms energy: -915.087224 where: bonds (distance) C4'-P energy: -178.674 bonds (distance) P-C4' energy: -178.518 flat angles C4'-P-C4' energy: -189.844 flat angles P-C4'-P energy: -126.663 tors. eta vs tors. theta energy: -241.389 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: 4 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -2846.852911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.852911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.852911 (E_RNA) where: Base-Base interactions energy: -1971.169 where: short stacking energy: -855.544 Base-Backbone interact. energy: 0.463 local terms energy: -876.146726 where: bonds (distance) C4'-P energy: -155.906 bonds (distance) P-C4' energy: -174.708 flat angles C4'-P-C4' energy: -200.045 flat angles P-C4'-P energy: -108.019 tors. eta vs tors. theta energy: -237.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -2661.678626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.678626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.678626 (E_RNA) where: Base-Base interactions energy: -1841.919 where: short stacking energy: -800.750 Base-Backbone interact. energy: -3.304 local terms energy: -816.455626 where: bonds (distance) C4'-P energy: -163.335 bonds (distance) P-C4' energy: -161.838 flat angles C4'-P-C4' energy: -187.532 flat angles P-C4'-P energy: -112.301 tors. eta vs tors. theta energy: -191.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -2532.307376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.307376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.307376 (E_RNA) where: Base-Base interactions energy: -1719.754 where: short stacking energy: -754.875 Base-Backbone interact. energy: -3.917 local terms energy: -808.636114 where: bonds (distance) C4'-P energy: -171.281 bonds (distance) P-C4' energy: -158.764 flat angles C4'-P-C4' energy: -162.236 flat angles P-C4'-P energy: -118.414 tors. eta vs tors. theta energy: -197.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -2342.175535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.175535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.175535 (E_RNA) where: Base-Base interactions energy: -1605.348 where: short stacking energy: -676.066 Base-Backbone interact. energy: -1.746 local terms energy: -735.081497 where: bonds (distance) C4'-P energy: -140.632 bonds (distance) P-C4' energy: -163.094 flat angles C4'-P-C4' energy: -172.952 flat angles P-C4'-P energy: -94.421 tors. eta vs tors. theta energy: -163.981 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: 1 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -2095.632704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2095.632704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2095.632704 (E_RNA) where: Base-Base interactions energy: -1377.106 where: short stacking energy: -630.799 Base-Backbone interact. energy: 0.806 local terms energy: -719.332438 where: bonds (distance) C4'-P energy: -141.092 bonds (distance) P-C4' energy: -157.575 flat angles C4'-P-C4' energy: -172.643 flat angles P-C4'-P energy: -92.101 tors. eta vs tors. theta energy: -155.922 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: 6 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -2006.323188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.323188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.323188 (E_RNA) where: Base-Base interactions energy: -1336.227 where: short stacking energy: -581.716 Base-Backbone interact. energy: -2.233 local terms energy: -667.862757 where: bonds (distance) C4'-P energy: -153.373 bonds (distance) P-C4' energy: -148.868 flat angles C4'-P-C4' energy: -156.664 flat angles P-C4'-P energy: -89.424 tors. eta vs tors. theta energy: -119.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -1579.732548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.732548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.732548 (E_RNA) where: Base-Base interactions energy: -985.620 where: short stacking energy: -437.353 Base-Backbone interact. energy: 2.271 local terms energy: -596.384039 where: bonds (distance) C4'-P energy: -139.410 bonds (distance) P-C4' energy: -141.433 flat angles C4'-P-C4' energy: -160.721 flat angles P-C4'-P energy: -78.725 tors. eta vs tors. theta energy: -76.095 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: 5 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -1097.224268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.224268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.224268 (E_RNA) where: Base-Base interactions energy: -562.393 where: short stacking energy: -327.601 Base-Backbone interact. energy: -0.346 local terms energy: -534.484806 where: bonds (distance) C4'-P energy: -129.153 bonds (distance) P-C4' energy: -148.986 flat angles C4'-P-C4' energy: -126.469 flat angles P-C4'-P energy: -99.180 tors. eta vs tors. theta energy: -30.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -3154.451799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.451799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.451799 (E_RNA) where: Base-Base interactions energy: -2169.418 where: short stacking energy: -911.273 Base-Backbone interact. energy: -4.997 local terms energy: -980.036828 where: bonds (distance) C4'-P energy: -171.525 bonds (distance) P-C4' energy: -181.734 flat angles C4'-P-C4' energy: -211.574 flat angles P-C4'-P energy: -141.613 tors. eta vs tors. theta energy: -273.591 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: 8 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -2936.701848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.701848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.701848 (E_RNA) where: Base-Base interactions energy: -2030.613 where: short stacking energy: -881.921 Base-Backbone interact. energy: 3.579 local terms energy: -909.667634 where: bonds (distance) C4'-P energy: -171.646 bonds (distance) P-C4' energy: -175.672 flat angles C4'-P-C4' energy: -184.983 flat angles P-C4'-P energy: -134.231 tors. eta vs tors. theta energy: -243.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -2860.350658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.350658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.350658 (E_RNA) where: Base-Base interactions energy: -1958.511 where: short stacking energy: -865.685 Base-Backbone interact. energy: -5.206 local terms energy: -896.633881 where: bonds (distance) C4'-P energy: -164.661 bonds (distance) P-C4' energy: -165.457 flat angles C4'-P-C4' energy: -192.020 flat angles P-C4'-P energy: -134.772 tors. eta vs tors. theta energy: -239.724 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: 4, replica: 10 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -2634.664112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.664112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.664112 (E_RNA) where: Base-Base interactions energy: -1805.189 where: short stacking energy: -753.366 Base-Backbone interact. energy: -6.368 local terms energy: -823.106620 where: bonds (distance) C4'-P energy: -155.905 bonds (distance) P-C4' energy: -185.066 flat angles C4'-P-C4' energy: -181.670 flat angles P-C4'-P energy: -128.907 tors. eta vs tors. theta energy: -171.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -2523.584935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.584935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.584935 (E_RNA) where: Base-Base interactions energy: -1689.235 where: short stacking energy: -756.117 Base-Backbone interact. energy: -3.133 local terms energy: -831.217507 where: bonds (distance) C4'-P energy: -148.889 bonds (distance) P-C4' energy: -184.326 flat angles C4'-P-C4' energy: -179.617 flat angles P-C4'-P energy: -116.106 tors. eta vs tors. theta energy: -202.280 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: 9 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -2370.945431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2370.945431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2370.945431 (E_RNA) where: Base-Base interactions energy: -1623.011 where: short stacking energy: -677.934 Base-Backbone interact. energy: -0.794 local terms energy: -747.140486 where: bonds (distance) C4'-P energy: -150.862 bonds (distance) P-C4' energy: -172.067 flat angles C4'-P-C4' energy: -163.455 flat angles P-C4'-P energy: -104.681 tors. eta vs tors. theta energy: -156.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -2177.733128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2177.733128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2177.733128 (E_RNA) where: Base-Base interactions energy: -1441.645 where: short stacking energy: -641.973 Base-Backbone interact. energy: 1.947 local terms energy: -738.035593 where: bonds (distance) C4'-P energy: -151.965 bonds (distance) P-C4' energy: -148.689 flat angles C4'-P-C4' energy: -163.419 flat angles P-C4'-P energy: -112.873 tors. eta vs tors. theta energy: -161.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1966.303558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.303558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.303558 (E_RNA) where: Base-Base interactions energy: -1269.269 where: short stacking energy: -570.155 Base-Backbone interact. energy: 2.949 local terms energy: -699.983108 where: bonds (distance) C4'-P energy: -149.940 bonds (distance) P-C4' energy: -152.616 flat angles C4'-P-C4' energy: -167.165 flat angles P-C4'-P energy: -87.125 tors. eta vs tors. theta energy: -143.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -1654.754691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.754691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.754691 (E_RNA) where: Base-Base interactions energy: -1038.610 where: short stacking energy: -475.089 Base-Backbone interact. energy: -0.587 local terms energy: -615.557949 where: bonds (distance) C4'-P energy: -133.909 bonds (distance) P-C4' energy: -157.408 flat angles C4'-P-C4' energy: -141.811 flat angles P-C4'-P energy: -103.989 tors. eta vs tors. theta energy: -78.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -1119.576053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.576053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.576053 (E_RNA) where: Base-Base interactions energy: -635.406 where: short stacking energy: -328.633 Base-Backbone interact. energy: 0.922 local terms energy: -485.092570 where: bonds (distance) C4'-P energy: -140.881 bonds (distance) P-C4' energy: -148.499 flat angles C4'-P-C4' energy: -128.103 flat angles P-C4'-P energy: -53.988 tors. eta vs tors. theta energy: -13.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -3127.562076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.562076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.562076 (E_RNA) where: Base-Base interactions energy: -2156.003 where: short stacking energy: -888.469 Base-Backbone interact. energy: -2.836 local terms energy: -968.723272 where: bonds (distance) C4'-P energy: -184.880 bonds (distance) P-C4' energy: -175.137 flat angles C4'-P-C4' energy: -204.889 flat angles P-C4'-P energy: -139.618 tors. eta vs tors. theta energy: -264.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -2889.964672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.964672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.964672 (E_RNA) where: Base-Base interactions energy: -1981.968 where: short stacking energy: -876.214 Base-Backbone interact. energy: 0.026 local terms energy: -908.023227 where: bonds (distance) C4'-P energy: -158.717 bonds (distance) P-C4' energy: -174.485 flat angles C4'-P-C4' energy: -203.213 flat angles P-C4'-P energy: -130.071 tors. eta vs tors. theta energy: -241.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -2895.492202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.492202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.492202 (E_RNA) where: Base-Base interactions energy: -2003.848 where: short stacking energy: -861.879 Base-Backbone interact. energy: 0.770 local terms energy: -892.414116 where: bonds (distance) C4'-P energy: -162.030 bonds (distance) P-C4' energy: -170.101 flat angles C4'-P-C4' energy: -190.681 flat angles P-C4'-P energy: -120.012 tors. eta vs tors. theta energy: -249.591 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: 2 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -2652.457417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.457417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.457417 (E_RNA) where: Base-Base interactions energy: -1787.293 where: short stacking energy: -818.619 Base-Backbone interact. energy: 0.536 local terms energy: -865.700415 where: bonds (distance) C4'-P energy: -161.161 bonds (distance) P-C4' energy: -180.609 flat angles C4'-P-C4' energy: -190.555 flat angles P-C4'-P energy: -115.522 tors. eta vs tors. theta energy: -217.852 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: 10 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -2636.416341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2636.416341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2636.416341 (E_RNA) where: Base-Base interactions energy: -1809.107 where: short stacking energy: -756.967 Base-Backbone interact. energy: -1.777 local terms energy: -825.532908 where: bonds (distance) C4'-P energy: -162.571 bonds (distance) P-C4' energy: -173.313 flat angles C4'-P-C4' energy: -171.520 flat angles P-C4'-P energy: -119.211 tors. eta vs tors. theta energy: -198.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -2414.097656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.097656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.097656 (E_RNA) where: Base-Base interactions energy: -1642.627 where: short stacking energy: -689.667 Base-Backbone interact. energy: -1.323 local terms energy: -770.146788 where: bonds (distance) C4'-P energy: -160.016 bonds (distance) P-C4' energy: -149.407 flat angles C4'-P-C4' energy: -182.721 flat angles P-C4'-P energy: -96.911 tors. eta vs tors. theta energy: -181.092 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: 1 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -2175.350277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.350277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.350277 (E_RNA) where: Base-Base interactions energy: -1450.547 where: short stacking energy: -659.828 Base-Backbone interact. energy: 4.282 local terms energy: -729.085833 where: bonds (distance) C4'-P energy: -117.645 bonds (distance) P-C4' energy: -159.652 flat angles C4'-P-C4' energy: -171.944 flat angles P-C4'-P energy: -121.571 tors. eta vs tors. theta energy: -158.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -1927.408789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.408789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.408789 (E_RNA) where: Base-Base interactions energy: -1245.432 where: short stacking energy: -557.791 Base-Backbone interact. energy: -4.601 local terms energy: -677.375379 where: bonds (distance) C4'-P energy: -133.215 bonds (distance) P-C4' energy: -162.430 flat angles C4'-P-C4' energy: -162.655 flat angles P-C4'-P energy: -87.600 tors. eta vs tors. theta energy: -131.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -1787.575694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.575694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.575694 (E_RNA) where: Base-Base interactions energy: -1164.854 where: short stacking energy: -532.036 Base-Backbone interact. energy: 4.958 local terms energy: -627.679753 where: bonds (distance) C4'-P energy: -125.357 bonds (distance) P-C4' energy: -154.740 flat angles C4'-P-C4' energy: -142.842 flat angles P-C4'-P energy: -81.020 tors. eta vs tors. theta energy: -123.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -1048.178708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.178708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.178708 (E_RNA) where: Base-Base interactions energy: -538.845 where: short stacking energy: -262.890 Base-Backbone interact. energy: -3.118 local terms energy: -506.216328 where: bonds (distance) C4'-P energy: -134.343 bonds (distance) P-C4' energy: -162.076 flat angles C4'-P-C4' energy: -144.241 flat angles P-C4'-P energy: -63.279 tors. eta vs tors. theta energy: -2.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -3138.492105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.492105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.492105 (E_RNA) where: Base-Base interactions energy: -2180.420 where: short stacking energy: -938.004 Base-Backbone interact. energy: -4.163 local terms energy: -953.909226 where: bonds (distance) C4'-P energy: -172.374 bonds (distance) P-C4' energy: -172.374 flat angles C4'-P-C4' energy: -206.369 flat angles P-C4'-P energy: -134.928 tors. eta vs tors. theta energy: -267.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -2898.539533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2898.539533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2898.539533 (E_RNA) where: Base-Base interactions energy: -2004.882 where: short stacking energy: -855.458 Base-Backbone interact. energy: -0.245 local terms energy: -893.412251 where: bonds (distance) C4'-P energy: -160.080 bonds (distance) P-C4' energy: -179.628 flat angles C4'-P-C4' energy: -192.120 flat angles P-C4'-P energy: -120.537 tors. eta vs tors. theta energy: -241.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -2917.617793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.617793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.617793 (E_RNA) where: Base-Base interactions energy: -1995.935 where: short stacking energy: -875.529 Base-Backbone interact. energy: -3.921 local terms energy: -917.761798 where: bonds (distance) C4'-P energy: -161.790 bonds (distance) P-C4' energy: -170.647 flat angles C4'-P-C4' energy: -212.807 flat angles P-C4'-P energy: -138.739 tors. eta vs tors. theta energy: -233.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -2693.430338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.430338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.430338 (E_RNA) where: Base-Base interactions energy: -1826.879 where: short stacking energy: -802.063 Base-Backbone interact. energy: -2.230 local terms energy: -864.321760 where: bonds (distance) C4'-P energy: -162.373 bonds (distance) P-C4' energy: -173.881 flat angles C4'-P-C4' energy: -176.486 flat angles P-C4'-P energy: -127.907 tors. eta vs tors. theta energy: -223.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -2532.706535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.706535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.706535 (E_RNA) where: Base-Base interactions energy: -1777.729 where: short stacking energy: -723.709 Base-Backbone interact. energy: -1.870 local terms energy: -753.107534 where: bonds (distance) C4'-P energy: -137.000 bonds (distance) P-C4' energy: -158.288 flat angles C4'-P-C4' energy: -171.391 flat angles P-C4'-P energy: -107.740 tors. eta vs tors. theta energy: -178.690 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: 9 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -2373.194695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.194695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.194695 (E_RNA) where: Base-Base interactions energy: -1616.450 where: short stacking energy: -695.988 Base-Backbone interact. energy: -4.437 local terms energy: -752.308339 where: bonds (distance) C4'-P energy: -139.107 bonds (distance) P-C4' energy: -145.434 flat angles C4'-P-C4' energy: -181.372 flat angles P-C4'-P energy: -119.787 tors. eta vs tors. theta energy: -166.609 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: 1 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -2214.274918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.274918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.274918 (E_RNA) where: Base-Base interactions energy: -1482.184 where: short stacking energy: -678.200 Base-Backbone interact. energy: -4.117 local terms energy: -727.973534 where: bonds (distance) C4'-P energy: -140.186 bonds (distance) P-C4' energy: -143.488 flat angles C4'-P-C4' energy: -169.327 flat angles P-C4'-P energy: -107.108 tors. eta vs tors. theta energy: -167.864 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: 6 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1929.618968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.618968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.618968 (E_RNA) where: Base-Base interactions energy: -1289.021 where: short stacking energy: -580.188 Base-Backbone interact. energy: 3.791 local terms energy: -644.388272 where: bonds (distance) C4'-P energy: -146.911 bonds (distance) P-C4' energy: -141.207 flat angles C4'-P-C4' energy: -135.517 flat angles P-C4'-P energy: -95.055 tors. eta vs tors. theta energy: -125.698 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: 9, replica: 3 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -1789.109057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.109057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.109057 (E_RNA) where: Base-Base interactions energy: -1117.479 where: short stacking energy: -549.666 Base-Backbone interact. energy: -2.505 local terms energy: -669.125300 where: bonds (distance) C4'-P energy: -116.052 bonds (distance) P-C4' energy: -165.857 flat angles C4'-P-C4' energy: -163.583 flat angles P-C4'-P energy: -95.311 tors. eta vs tors. theta energy: -128.322 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: 10, replica: 5 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -1073.791860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.791860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.791860 (E_RNA) where: Base-Base interactions energy: -604.076 where: short stacking energy: -322.838 Base-Backbone interact. energy: 2.011 local terms energy: -471.727159 where: bonds (distance) C4'-P energy: -131.006 bonds (distance) P-C4' energy: -138.271 flat angles C4'-P-C4' energy: -111.665 flat angles P-C4'-P energy: -73.913 tors. eta vs tors. theta energy: -16.871 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: 1, replica: 7 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -3113.738162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.738162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.738162 (E_RNA) where: Base-Base interactions energy: -2124.818 where: short stacking energy: -905.447 Base-Backbone interact. energy: -3.513 local terms energy: -985.406610 where: bonds (distance) C4'-P energy: -188.675 bonds (distance) P-C4' energy: -174.712 flat angles C4'-P-C4' energy: -214.298 flat angles P-C4'-P energy: -145.230 tors. eta vs tors. theta energy: -262.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -2973.365519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.365519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.365519 (E_RNA) where: Base-Base interactions energy: -2042.774 where: short stacking energy: -870.926 Base-Backbone interact. energy: -1.275 local terms energy: -929.316951 where: bonds (distance) C4'-P energy: -178.985 bonds (distance) P-C4' energy: -189.065 flat angles C4'-P-C4' energy: -205.912 flat angles P-C4'-P energy: -108.239 tors. eta vs tors. theta energy: -247.115 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: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -2882.823596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.823596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.823596 (E_RNA) where: Base-Base interactions energy: -1982.187 where: short stacking energy: -881.003 Base-Backbone interact. energy: -2.377 local terms energy: -898.258762 where: bonds (distance) C4'-P energy: -172.550 bonds (distance) P-C4' energy: -170.462 flat angles C4'-P-C4' energy: -202.570 flat angles P-C4'-P energy: -124.129 tors. eta vs tors. theta energy: -228.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -2689.114042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.114042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.114042 (E_RNA) where: Base-Base interactions energy: -1815.229 where: short stacking energy: -804.849 Base-Backbone interact. energy: -0.355 local terms energy: -873.529613 where: bonds (distance) C4'-P energy: -175.241 bonds (distance) P-C4' energy: -170.894 flat angles C4'-P-C4' energy: -188.111 flat angles P-C4'-P energy: -129.082 tors. eta vs tors. theta energy: -210.203 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: 10 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -2561.590385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.590385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.590385 (E_RNA) where: Base-Base interactions energy: -1772.690 where: short stacking energy: -752.359 Base-Backbone interact. energy: -3.384 local terms energy: -785.515872 where: bonds (distance) C4'-P energy: -132.834 bonds (distance) P-C4' energy: -167.856 flat angles C4'-P-C4' energy: -174.828 flat angles P-C4'-P energy: -124.572 tors. eta vs tors. theta energy: -185.425 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: 9 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -2368.011992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.011992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.011992 (E_RNA) where: Base-Base interactions energy: -1626.689 where: short stacking energy: -665.287 Base-Backbone interact. energy: -3.196 local terms energy: -738.126726 where: bonds (distance) C4'-P energy: -148.414 bonds (distance) P-C4' energy: -149.644 flat angles C4'-P-C4' energy: -175.495 flat angles P-C4'-P energy: -94.759 tors. eta vs tors. theta energy: -169.814 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: 7, replica: 1 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -2199.533698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.533698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.533698 (E_RNA) where: Base-Base interactions energy: -1452.536 where: short stacking energy: -677.757 Base-Backbone interact. energy: 2.823 local terms energy: -749.820867 where: bonds (distance) C4'-P energy: -144.301 bonds (distance) P-C4' energy: -149.510 flat angles C4'-P-C4' energy: -179.836 flat angles P-C4'-P energy: -109.284 tors. eta vs tors. theta energy: -166.889 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: 6 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1946.574814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.574814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.574814 (E_RNA) where: Base-Base interactions energy: -1274.807 where: short stacking energy: -590.315 Base-Backbone interact. energy: -0.829 local terms energy: -670.938689 where: bonds (distance) C4'-P energy: -146.143 bonds (distance) P-C4' energy: -145.211 flat angles C4'-P-C4' energy: -142.243 flat angles P-C4'-P energy: -99.570 tors. eta vs tors. theta energy: -137.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -1753.991554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.991554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.991554 (E_RNA) where: Base-Base interactions energy: -1074.446 where: short stacking energy: -488.878 Base-Backbone interact. energy: -3.208 local terms energy: -676.338103 where: bonds (distance) C4'-P energy: -158.798 bonds (distance) P-C4' energy: -168.579 flat angles C4'-P-C4' energy: -166.063 flat angles P-C4'-P energy: -85.950 tors. eta vs tors. theta energy: -96.949 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: 5 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -1020.742284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.742284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.742284 (E_RNA) where: Base-Base interactions energy: -552.217 where: short stacking energy: -304.032 Base-Backbone interact. energy: -1.024 local terms energy: -467.500678 where: bonds (distance) C4'-P energy: -144.972 bonds (distance) P-C4' energy: -131.135 flat angles C4'-P-C4' energy: -141.964 flat angles P-C4'-P energy: -46.178 tors. eta vs tors. theta energy: -3.253 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: 7 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -3125.314771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.314771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.314771 (E_RNA) where: Base-Base interactions energy: -2161.465 where: short stacking energy: -950.719 Base-Backbone interact. energy: -0.714 local terms energy: -963.136004 where: bonds (distance) C4'-P energy: -174.701 bonds (distance) P-C4' energy: -185.429 flat angles C4'-P-C4' energy: -196.494 flat angles P-C4'-P energy: -139.000 tors. eta vs tors. theta energy: -267.513 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: 8 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -2998.472138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.472138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.472138 (E_RNA) where: Base-Base interactions energy: -2105.266 where: short stacking energy: -923.279 Base-Backbone interact. energy: -2.981 local terms energy: -890.224816 where: bonds (distance) C4'-P energy: -155.483 bonds (distance) P-C4' energy: -168.082 flat angles C4'-P-C4' energy: -208.482 flat angles P-C4'-P energy: -113.633 tors. eta vs tors. theta energy: -244.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -2870.593520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.593520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.593520 (E_RNA) where: Base-Base interactions energy: -1983.769 where: short stacking energy: -834.891 Base-Backbone interact. energy: -2.722 local terms energy: -884.102314 where: bonds (distance) C4'-P energy: -166.227 bonds (distance) P-C4' energy: -169.840 flat angles C4'-P-C4' energy: -194.288 flat angles P-C4'-P energy: -114.704 tors. eta vs tors. theta energy: -239.044 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: 2 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -2671.237046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.237046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.237046 (E_RNA) where: Base-Base interactions energy: -1787.193 where: short stacking energy: -805.123 Base-Backbone interact. energy: -3.186 local terms energy: -880.858582 where: bonds (distance) C4'-P energy: -172.930 bonds (distance) P-C4' energy: -162.446 flat angles C4'-P-C4' energy: -192.891 flat angles P-C4'-P energy: -131.504 tors. eta vs tors. theta energy: -221.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -2516.083913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.083913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.083913 (E_RNA) where: Base-Base interactions energy: -1722.213 where: short stacking energy: -726.829 Base-Backbone interact. energy: -5.291 local terms energy: -788.579850 where: bonds (distance) C4'-P energy: -166.913 bonds (distance) P-C4' energy: -150.472 flat angles C4'-P-C4' energy: -170.019 flat angles P-C4'-P energy: -114.038 tors. eta vs tors. theta energy: -187.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -2499.573781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.573781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.573781 (E_RNA) where: Base-Base interactions energy: -1670.436 where: short stacking energy: -716.269 Base-Backbone interact. energy: -3.798 local terms energy: -825.339961 where: bonds (distance) C4'-P energy: -169.519 bonds (distance) P-C4' energy: -169.100 flat angles C4'-P-C4' energy: -190.137 flat angles P-C4'-P energy: -95.050 tors. eta vs tors. theta energy: -201.534 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: 1 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -2242.577204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.577204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.577204 (E_RNA) where: Base-Base interactions energy: -1528.368 where: short stacking energy: -687.499 Base-Backbone interact. energy: 3.816 local terms energy: -718.024969 where: bonds (distance) C4'-P energy: -132.946 bonds (distance) P-C4' energy: -143.360 flat angles C4'-P-C4' energy: -168.225 flat angles P-C4'-P energy: -101.292 tors. eta vs tors. theta energy: -172.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -2028.064945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.064945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.064945 (E_RNA) where: Base-Base interactions energy: -1353.295 where: short stacking energy: -631.089 Base-Backbone interact. energy: 3.707 local terms energy: -678.477448 where: bonds (distance) C4'-P energy: -147.431 bonds (distance) P-C4' energy: -153.761 flat angles C4'-P-C4' energy: -157.493 flat angles P-C4'-P energy: -89.827 tors. eta vs tors. theta energy: -129.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -1765.565378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.565378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.565378 (E_RNA) where: Base-Base interactions energy: -1144.546 where: short stacking energy: -512.706 Base-Backbone interact. energy: -2.866 local terms energy: -618.153439 where: bonds (distance) C4'-P energy: -145.788 bonds (distance) P-C4' energy: -123.261 flat angles C4'-P-C4' energy: -156.950 flat angles P-C4'-P energy: -87.976 tors. eta vs tors. theta energy: -104.178 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: 5 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -1064.810546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.810546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.810546 (E_RNA) where: Base-Base interactions energy: -549.138 where: short stacking energy: -287.138 Base-Backbone interact. energy: -2.304 local terms energy: -513.368416 where: bonds (distance) C4'-P energy: -144.109 bonds (distance) P-C4' energy: -146.267 flat angles C4'-P-C4' energy: -122.182 flat angles P-C4'-P energy: -87.872 tors. eta vs tors. theta energy: -12.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -3172.914126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.914126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.914126 (E_RNA) where: Base-Base interactions energy: -2197.038 where: short stacking energy: -937.856 Base-Backbone interact. energy: -4.859 local terms energy: -971.017821 where: bonds (distance) C4'-P energy: -176.474 bonds (distance) P-C4' energy: -187.334 flat angles C4'-P-C4' energy: -194.528 flat angles P-C4'-P energy: -141.436 tors. eta vs tors. theta energy: -271.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -2970.915254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.915254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.915254 (E_RNA) where: Base-Base interactions energy: -2055.877 where: short stacking energy: -897.450 Base-Backbone interact. energy: -3.936 local terms energy: -911.102192 where: bonds (distance) C4'-P energy: -165.679 bonds (distance) P-C4' energy: -175.204 flat angles C4'-P-C4' energy: -202.095 flat angles P-C4'-P energy: -131.310 tors. eta vs tors. theta energy: -236.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -2852.683590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.683590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.683590 (E_RNA) where: Base-Base interactions energy: -1974.978 where: short stacking energy: -862.843 Base-Backbone interact. energy: 1.037 local terms energy: -878.742659 where: bonds (distance) C4'-P energy: -160.459 bonds (distance) P-C4' energy: -182.018 flat angles C4'-P-C4' energy: -182.093 flat angles P-C4'-P energy: -123.408 tors. eta vs tors. theta energy: -230.765 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: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -2646.875947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.875947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.875947 (E_RNA) where: Base-Base interactions energy: -1813.813 where: short stacking energy: -786.904 Base-Backbone interact. energy: 1.356 local terms energy: -834.418706 where: bonds (distance) C4'-P energy: -152.278 bonds (distance) P-C4' energy: -166.810 flat angles C4'-P-C4' energy: -184.089 flat angles P-C4'-P energy: -110.487 tors. eta vs tors. theta energy: -220.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -2530.534131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.534131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.534131 (E_RNA) where: Base-Base interactions energy: -1696.257 where: short stacking energy: -762.035 Base-Backbone interact. energy: -1.241 local terms energy: -833.036523 where: bonds (distance) C4'-P energy: -148.926 bonds (distance) P-C4' energy: -188.331 flat angles C4'-P-C4' energy: -185.217 flat angles P-C4'-P energy: -102.679 tors. eta vs tors. theta energy: -207.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -2492.012985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2492.012985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2492.012985 (E_RNA) where: Base-Base interactions energy: -1724.502 where: short stacking energy: -722.470 Base-Backbone interact. energy: 5.836 local terms energy: -773.347356 where: bonds (distance) C4'-P energy: -170.141 bonds (distance) P-C4' energy: -128.083 flat angles C4'-P-C4' energy: -163.305 flat angles P-C4'-P energy: -116.582 tors. eta vs tors. theta energy: -195.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -2200.358634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2200.358634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2200.358634 (E_RNA) where: Base-Base interactions energy: -1470.734 where: short stacking energy: -643.296 Base-Backbone interact. energy: -2.983 local terms energy: -726.641873 where: bonds (distance) C4'-P energy: -135.993 bonds (distance) P-C4' energy: -143.815 flat angles C4'-P-C4' energy: -178.799 flat angles P-C4'-P energy: -123.423 tors. eta vs tors. theta energy: -144.613 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: 6 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1965.094461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.094461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.094461 (E_RNA) where: Base-Base interactions energy: -1273.776 where: short stacking energy: -551.111 Base-Backbone interact. energy: 0.182 local terms energy: -691.500431 where: bonds (distance) C4'-P energy: -164.541 bonds (distance) P-C4' energy: -153.295 flat angles C4'-P-C4' energy: -158.994 flat angles P-C4'-P energy: -88.592 tors. eta vs tors. theta energy: -126.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -1713.494715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.494715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.494715 (E_RNA) where: Base-Base interactions energy: -1062.360 where: short stacking energy: -460.510 Base-Backbone interact. energy: -4.690 local terms energy: -646.444889 where: bonds (distance) C4'-P energy: -144.664 bonds (distance) P-C4' energy: -155.588 flat angles C4'-P-C4' energy: -166.240 flat angles P-C4'-P energy: -89.012 tors. eta vs tors. theta energy: -90.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -1135.891091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.891091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.891091 (E_RNA) where: Base-Base interactions energy: -609.477 where: short stacking energy: -322.461 Base-Backbone interact. energy: -0.273 local terms energy: -526.141435 where: bonds (distance) C4'-P energy: -142.118 bonds (distance) P-C4' energy: -144.651 flat angles C4'-P-C4' energy: -148.556 flat angles P-C4'-P energy: -76.160 tors. eta vs tors. theta energy: -14.657 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: 7 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -3147.205466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.205466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.205466 (E_RNA) where: Base-Base interactions energy: -2147.829 where: short stacking energy: -921.053 Base-Backbone interact. energy: -7.620 local terms energy: -991.756312 where: bonds (distance) C4'-P energy: -177.832 bonds (distance) P-C4' energy: -185.934 flat angles C4'-P-C4' energy: -208.307 flat angles P-C4'-P energy: -137.606 tors. eta vs tors. theta energy: -282.077 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: 8 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -3046.318731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.318731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.318731 (E_RNA) where: Base-Base interactions energy: -2103.899 where: short stacking energy: -893.942 Base-Backbone interact. energy: -0.711 local terms energy: -941.708310 where: bonds (distance) C4'-P energy: -178.894 bonds (distance) P-C4' energy: -186.757 flat angles C4'-P-C4' energy: -197.295 flat angles P-C4'-P energy: -126.821 tors. eta vs tors. theta energy: -251.941 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: 4 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -2843.566474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.566474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.566474 (E_RNA) where: Base-Base interactions energy: -1958.530 where: short stacking energy: -831.289 Base-Backbone interact. energy: 1.675 local terms energy: -886.712155 where: bonds (distance) C4'-P energy: -176.991 bonds (distance) P-C4' energy: -160.255 flat angles C4'-P-C4' energy: -182.813 flat angles P-C4'-P energy: -131.773 tors. eta vs tors. theta energy: -234.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -2674.747392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.747392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.747392 (E_RNA) where: Base-Base interactions energy: -1825.490 where: short stacking energy: -769.729 Base-Backbone interact. energy: -6.157 local terms energy: -843.100461 where: bonds (distance) C4'-P energy: -172.056 bonds (distance) P-C4' energy: -177.340 flat angles C4'-P-C4' energy: -176.552 flat angles P-C4'-P energy: -121.876 tors. eta vs tors. theta energy: -195.276 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: 2 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -2533.787656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.787656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.787656 (E_RNA) where: Base-Base interactions energy: -1693.031 where: short stacking energy: -791.350 Base-Backbone interact. energy: 4.767 local terms energy: -845.523879 where: bonds (distance) C4'-P energy: -178.426 bonds (distance) P-C4' energy: -161.026 flat angles C4'-P-C4' energy: -175.194 flat angles P-C4'-P energy: -126.731 tors. eta vs tors. theta energy: -204.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -2443.565875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.565875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.565875 (E_RNA) where: Base-Base interactions energy: -1679.528 where: short stacking energy: -718.788 Base-Backbone interact. energy: -2.076 local terms energy: -761.962261 where: bonds (distance) C4'-P energy: -151.644 bonds (distance) P-C4' energy: -137.032 flat angles C4'-P-C4' energy: -169.592 flat angles P-C4'-P energy: -108.025 tors. eta vs tors. theta energy: -195.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -2218.774039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2218.774039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2218.774039 (E_RNA) where: Base-Base interactions energy: -1480.261 where: short stacking energy: -656.329 Base-Backbone interact. energy: 0.373 local terms energy: -738.886789 where: bonds (distance) C4'-P energy: -152.358 bonds (distance) P-C4' energy: -159.424 flat angles C4'-P-C4' energy: -163.007 flat angles P-C4'-P energy: -97.598 tors. eta vs tors. theta energy: -166.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1962.857454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.857454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.857454 (E_RNA) where: Base-Base interactions energy: -1284.781 where: short stacking energy: -579.351 Base-Backbone interact. energy: 1.363 local terms energy: -679.439763 where: bonds (distance) C4'-P energy: -137.431 bonds (distance) P-C4' energy: -149.564 flat angles C4'-P-C4' energy: -149.107 flat angles P-C4'-P energy: -107.102 tors. eta vs tors. theta energy: -136.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -1641.144349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.144349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.144349 (E_RNA) where: Base-Base interactions energy: -1063.932 where: short stacking energy: -485.294 Base-Backbone interact. energy: -1.399 local terms energy: -575.813260 where: bonds (distance) C4'-P energy: -139.689 bonds (distance) P-C4' energy: -128.469 flat angles C4'-P-C4' energy: -150.473 flat angles P-C4'-P energy: -70.899 tors. eta vs tors. theta energy: -86.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -1160.832655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.832655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.832655 (E_RNA) where: Base-Base interactions energy: -622.028 where: short stacking energy: -321.193 Base-Backbone interact. energy: 3.908 local terms energy: -542.712120 where: bonds (distance) C4'-P energy: -146.284 bonds (distance) P-C4' energy: -146.007 flat angles C4'-P-C4' energy: -136.034 flat angles P-C4'-P energy: -93.275 tors. eta vs tors. theta energy: -21.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -3165.300102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3165.300102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3165.300102 (E_RNA) where: Base-Base interactions energy: -2177.875 where: short stacking energy: -944.164 Base-Backbone interact. energy: -4.251 local terms energy: -983.174240 where: bonds (distance) C4'-P energy: -178.828 bonds (distance) P-C4' energy: -175.031 flat angles C4'-P-C4' energy: -194.278 flat angles P-C4'-P energy: -152.429 tors. eta vs tors. theta energy: -282.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -3023.701749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.701749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.701749 (E_RNA) where: Base-Base interactions energy: -2087.966 where: short stacking energy: -869.891 Base-Backbone interact. energy: -0.560 local terms energy: -935.175611 where: bonds (distance) C4'-P energy: -181.149 bonds (distance) P-C4' energy: -187.222 flat angles C4'-P-C4' energy: -197.280 flat angles P-C4'-P energy: -128.745 tors. eta vs tors. theta energy: -240.779 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: 4 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -2858.340352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.340352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.340352 (E_RNA) where: Base-Base interactions energy: -2000.512 where: short stacking energy: -854.000 Base-Backbone interact. energy: 0.184 local terms energy: -858.012505 where: bonds (distance) C4'-P energy: -157.237 bonds (distance) P-C4' energy: -159.603 flat angles C4'-P-C4' energy: -194.296 flat angles P-C4'-P energy: -109.011 tors. eta vs tors. theta energy: -237.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -2672.916685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.916685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.916685 (E_RNA) where: Base-Base interactions energy: -1841.512 where: short stacking energy: -789.069 Base-Backbone interact. energy: -0.560 local terms energy: -830.845196 where: bonds (distance) C4'-P energy: -158.390 bonds (distance) P-C4' energy: -172.168 flat angles C4'-P-C4' energy: -190.917 flat angles P-C4'-P energy: -118.696 tors. eta vs tors. theta energy: -190.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -2556.406659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.406659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.406659 (E_RNA) where: Base-Base interactions energy: -1719.886 where: short stacking energy: -786.410 Base-Backbone interact. energy: 0.130 local terms energy: -836.651365 where: bonds (distance) C4'-P energy: -182.777 bonds (distance) P-C4' energy: -144.763 flat angles C4'-P-C4' energy: -185.178 flat angles P-C4'-P energy: -117.698 tors. eta vs tors. theta energy: -206.236 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: 9 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -2414.962582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.962582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.962582 (E_RNA) where: Base-Base interactions energy: -1663.966 where: short stacking energy: -721.223 Base-Backbone interact. energy: 0.048 local terms energy: -751.045090 where: bonds (distance) C4'-P energy: -139.690 bonds (distance) P-C4' energy: -149.743 flat angles C4'-P-C4' energy: -171.304 flat angles P-C4'-P energy: -110.704 tors. eta vs tors. theta energy: -179.604 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: 7, replica: 1 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -2258.467510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2258.467510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2258.467510 (E_RNA) where: Base-Base interactions energy: -1497.737 where: short stacking energy: -661.323 Base-Backbone interact. energy: -0.865 local terms energy: -759.865260 where: bonds (distance) C4'-P energy: -159.149 bonds (distance) P-C4' energy: -159.805 flat angles C4'-P-C4' energy: -174.369 flat angles P-C4'-P energy: -99.197 tors. eta vs tors. theta energy: -167.345 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: 8, replica: 6 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -2004.061406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.061406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.061406 (E_RNA) where: Base-Base interactions energy: -1303.010 where: short stacking energy: -589.140 Base-Backbone interact. energy: -3.263 local terms energy: -697.789040 where: bonds (distance) C4'-P energy: -165.298 bonds (distance) P-C4' energy: -148.006 flat angles C4'-P-C4' energy: -143.843 flat angles P-C4'-P energy: -106.815 tors. eta vs tors. theta energy: -133.827 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: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -1637.860725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.860725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.860725 (E_RNA) where: Base-Base interactions energy: -1017.798 where: short stacking energy: -481.789 Base-Backbone interact. energy: 2.364 local terms energy: -622.426726 where: bonds (distance) C4'-P energy: -137.204 bonds (distance) P-C4' energy: -146.137 flat angles C4'-P-C4' energy: -143.316 flat angles P-C4'-P energy: -93.599 tors. eta vs tors. theta energy: -102.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -1176.400942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.400942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.400942 (E_RNA) where: Base-Base interactions energy: -649.986 where: short stacking energy: -350.066 Base-Backbone interact. energy: 7.059 local terms energy: -533.473874 where: bonds (distance) C4'-P energy: -136.996 bonds (distance) P-C4' energy: -144.465 flat angles C4'-P-C4' energy: -133.093 flat angles P-C4'-P energy: -79.466 tors. eta vs tors. theta energy: -39.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -3155.307766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.307766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.307766 (E_RNA) where: Base-Base interactions energy: -2166.434 where: short stacking energy: -918.337 Base-Backbone interact. energy: -5.068 local terms energy: -983.806122 where: bonds (distance) C4'-P energy: -173.963 bonds (distance) P-C4' energy: -200.728 flat angles C4'-P-C4' energy: -192.159 flat angles P-C4'-P energy: -147.215 tors. eta vs tors. theta energy: -269.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -3017.163417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.163417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.163417 (E_RNA) where: Base-Base interactions energy: -2106.140 where: short stacking energy: -882.669 Base-Backbone interact. energy: -3.403 local terms energy: -907.621048 where: bonds (distance) C4'-P energy: -170.364 bonds (distance) P-C4' energy: -164.092 flat angles C4'-P-C4' energy: -191.446 flat angles P-C4'-P energy: -142.508 tors. eta vs tors. theta energy: -239.210 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: 4 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -2825.057038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.057038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.057038 (E_RNA) where: Base-Base interactions energy: -1926.442 where: short stacking energy: -831.218 Base-Backbone interact. energy: -3.587 local terms energy: -895.027766 where: bonds (distance) C4'-P energy: -171.995 bonds (distance) P-C4' energy: -165.244 flat angles C4'-P-C4' energy: -201.129 flat angles P-C4'-P energy: -124.512 tors. eta vs tors. theta energy: -232.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -2755.049552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.049552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.049552 (E_RNA) where: Base-Base interactions energy: -1928.505 where: short stacking energy: -819.415 Base-Backbone interact. energy: -2.437 local terms energy: -824.107641 where: bonds (distance) C4'-P energy: -160.887 bonds (distance) P-C4' energy: -170.903 flat angles C4'-P-C4' energy: -163.523 flat angles P-C4'-P energy: -110.149 tors. eta vs tors. theta energy: -218.645 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: 2 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -2573.506185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.506185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.506185 (E_RNA) where: Base-Base interactions energy: -1727.331 where: short stacking energy: -807.017 Base-Backbone interact. energy: 0.378 local terms energy: -846.554056 where: bonds (distance) C4'-P energy: -160.507 bonds (distance) P-C4' energy: -174.847 flat angles C4'-P-C4' energy: -180.799 flat angles P-C4'-P energy: -118.420 tors. eta vs tors. theta energy: -211.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -2374.047505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2374.047505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2374.047505 (E_RNA) where: Base-Base interactions energy: -1617.507 where: short stacking energy: -712.954 Base-Backbone interact. energy: -0.984 local terms energy: -755.556771 where: bonds (distance) C4'-P energy: -151.867 bonds (distance) P-C4' energy: -160.269 flat angles C4'-P-C4' energy: -169.382 flat angles P-C4'-P energy: -104.782 tors. eta vs tors. theta energy: -169.256 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: 1 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -2246.410221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.410221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.410221 (E_RNA) where: Base-Base interactions energy: -1476.735 where: short stacking energy: -680.059 Base-Backbone interact. energy: -0.338 local terms energy: -769.337651 where: bonds (distance) C4'-P energy: -147.269 bonds (distance) P-C4' energy: -183.271 flat angles C4'-P-C4' energy: -170.561 flat angles P-C4'-P energy: -105.536 tors. eta vs tors. theta energy: -162.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -2045.439948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.439948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.439948 (E_RNA) where: Base-Base interactions energy: -1326.836 where: short stacking energy: -591.185 Base-Backbone interact. energy: 2.541 local terms energy: -721.145648 where: bonds (distance) C4'-P energy: -153.778 bonds (distance) P-C4' energy: -157.981 flat angles C4'-P-C4' energy: -154.818 flat angles P-C4'-P energy: -108.746 tors. eta vs tors. theta energy: -145.823 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: 3 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -1664.796101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.796101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.796101 (E_RNA) where: Base-Base interactions energy: -1063.238 where: short stacking energy: -485.927 Base-Backbone interact. energy: -2.599 local terms energy: -598.959045 where: bonds (distance) C4'-P energy: -145.296 bonds (distance) P-C4' energy: -137.867 flat angles C4'-P-C4' energy: -154.673 flat angles P-C4'-P energy: -76.340 tors. eta vs tors. theta energy: -84.784 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: 5 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -1156.693397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.693397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.693397 (E_RNA) where: Base-Base interactions energy: -630.529 where: short stacking energy: -322.809 Base-Backbone interact. energy: 0.386 local terms energy: -526.550388 where: bonds (distance) C4'-P energy: -131.122 bonds (distance) P-C4' energy: -137.686 flat angles C4'-P-C4' energy: -137.508 flat angles P-C4'-P energy: -97.276 tors. eta vs tors. theta energy: -22.958 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: 1, replica: 7 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -3171.946824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.946824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.946824 (E_RNA) where: Base-Base interactions energy: -2164.261 where: short stacking energy: -944.124 Base-Backbone interact. energy: -4.803 local terms energy: -1002.882926 where: bonds (distance) C4'-P energy: -186.717 bonds (distance) P-C4' energy: -184.380 flat angles C4'-P-C4' energy: -205.103 flat angles P-C4'-P energy: -146.695 tors. eta vs tors. theta energy: -279.987 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: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -3016.319528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.319528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.319528 (E_RNA) where: Base-Base interactions energy: -2064.257 where: short stacking energy: -880.164 Base-Backbone interact. energy: -6.076 local terms energy: -945.987188 where: bonds (distance) C4'-P energy: -163.872 bonds (distance) P-C4' energy: -197.384 flat angles C4'-P-C4' energy: -203.115 flat angles P-C4'-P energy: -138.977 tors. eta vs tors. theta energy: -242.640 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: 4 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -2855.309315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.309315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.309315 (E_RNA) where: Base-Base interactions energy: -1978.914 where: short stacking energy: -837.893 Base-Backbone interact. energy: -3.280 local terms energy: -873.114374 where: bonds (distance) C4'-P energy: -150.659 bonds (distance) P-C4' energy: -172.637 flat angles C4'-P-C4' energy: -192.492 flat angles P-C4'-P energy: -128.905 tors. eta vs tors. theta energy: -228.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -2791.558240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.558240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.558240 (E_RNA) where: Base-Base interactions energy: -1948.691 where: short stacking energy: -828.052 Base-Backbone interact. energy: -6.490 local terms energy: -836.377082 where: bonds (distance) C4'-P energy: -162.513 bonds (distance) P-C4' energy: -164.971 flat angles C4'-P-C4' energy: -182.771 flat angles P-C4'-P energy: -118.129 tors. eta vs tors. theta energy: -207.994 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: 5, replica: 2 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -2498.094228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.094228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.094228 (E_RNA) where: Base-Base interactions energy: -1645.710 where: short stacking energy: -758.264 Base-Backbone interact. energy: -2.109 local terms energy: -850.275496 where: bonds (distance) C4'-P energy: -170.703 bonds (distance) P-C4' energy: -156.342 flat angles C4'-P-C4' energy: -179.324 flat angles P-C4'-P energy: -130.906 tors. eta vs tors. theta energy: -213.000 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: 1 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -2341.634375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.634375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.634375 (E_RNA) where: Base-Base interactions energy: -1573.439 where: short stacking energy: -716.458 Base-Backbone interact. energy: 2.390 local terms energy: -770.585782 where: bonds (distance) C4'-P energy: -153.748 bonds (distance) P-C4' energy: -157.557 flat angles C4'-P-C4' energy: -163.564 flat angles P-C4'-P energy: -106.133 tors. eta vs tors. theta energy: -189.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -2191.305202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.305202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.305202 (E_RNA) where: Base-Base interactions energy: -1481.384 where: short stacking energy: -665.150 Base-Backbone interact. energy: 0.030 local terms energy: -709.950598 where: bonds (distance) C4'-P energy: -137.392 bonds (distance) P-C4' energy: -155.912 flat angles C4'-P-C4' energy: -161.928 flat angles P-C4'-P energy: -91.340 tors. eta vs tors. theta energy: -163.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1925.753447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1925.753447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1925.753447 (E_RNA) where: Base-Base interactions energy: -1208.584 where: short stacking energy: -558.418 Base-Backbone interact. energy: -2.085 local terms energy: -715.084486 where: bonds (distance) C4'-P energy: -156.944 bonds (distance) P-C4' energy: -157.457 flat angles C4'-P-C4' energy: -153.967 flat angles P-C4'-P energy: -104.470 tors. eta vs tors. theta energy: -142.247 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: 3 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -1708.245552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.245552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.245552 (E_RNA) where: Base-Base interactions energy: -1122.182 where: short stacking energy: -497.729 Base-Backbone interact. energy: -1.621 local terms energy: -584.442095 where: bonds (distance) C4'-P energy: -120.512 bonds (distance) P-C4' energy: -142.195 flat angles C4'-P-C4' energy: -135.574 flat angles P-C4'-P energy: -96.564 tors. eta vs tors. theta energy: -89.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -1180.259212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.259212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.259212 (E_RNA) where: Base-Base interactions energy: -663.596 where: short stacking energy: -331.373 Base-Backbone interact. energy: -3.109 local terms energy: -513.554591 where: bonds (distance) C4'-P energy: -147.495 bonds (distance) P-C4' energy: -155.492 flat angles C4'-P-C4' energy: -140.451 flat angles P-C4'-P energy: -63.338 tors. eta vs tors. theta energy: -6.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -3164.522315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.522315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.522315 (E_RNA) where: Base-Base interactions energy: -2204.157 where: short stacking energy: -938.678 Base-Backbone interact. energy: -4.045 local terms energy: -956.320947 where: bonds (distance) C4'-P energy: -174.200 bonds (distance) P-C4' energy: -173.193 flat angles C4'-P-C4' energy: -198.608 flat angles P-C4'-P energy: -132.253 tors. eta vs tors. theta energy: -278.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -2970.795381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.795381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.795381 (E_RNA) where: Base-Base interactions energy: -2052.221 where: short stacking energy: -863.349 Base-Backbone interact. energy: -3.250 local terms energy: -915.323463 where: bonds (distance) C4'-P energy: -177.560 bonds (distance) P-C4' energy: -187.563 flat angles C4'-P-C4' energy: -185.320 flat angles P-C4'-P energy: -131.766 tors. eta vs tors. theta energy: -233.115 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: 4 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -2848.478268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.478268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.478268 (E_RNA) where: Base-Base interactions energy: -1987.645 where: short stacking energy: -852.890 Base-Backbone interact. energy: 0.439 local terms energy: -861.272610 where: bonds (distance) C4'-P energy: -158.910 bonds (distance) P-C4' energy: -163.991 flat angles C4'-P-C4' energy: -181.117 flat angles P-C4'-P energy: -120.899 tors. eta vs tors. theta energy: -236.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -2683.747978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.747978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.747978 (E_RNA) where: Base-Base interactions energy: -1822.843 where: short stacking energy: -787.896 Base-Backbone interact. energy: -4.346 local terms energy: -856.558171 where: bonds (distance) C4'-P energy: -145.062 bonds (distance) P-C4' energy: -154.305 flat angles C4'-P-C4' energy: -200.349 flat angles P-C4'-P energy: -132.656 tors. eta vs tors. theta energy: -224.187 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: 2 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -2545.314606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.314606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.314606 (E_RNA) where: Base-Base interactions energy: -1710.049 where: short stacking energy: -760.800 Base-Backbone interact. energy: 1.099 local terms energy: -836.364500 where: bonds (distance) C4'-P energy: -155.661 bonds (distance) P-C4' energy: -150.627 flat angles C4'-P-C4' energy: -188.448 flat angles P-C4'-P energy: -118.656 tors. eta vs tors. theta energy: -222.972 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: 154 Temperature: 1.150000 Total energy: -2365.123062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.123062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.123062 (E_RNA) where: Base-Base interactions energy: -1634.424 where: short stacking energy: -696.155 Base-Backbone interact. energy: 2.300 local terms energy: -732.998740 where: bonds (distance) C4'-P energy: -133.454 bonds (distance) P-C4' energy: -169.695 flat angles C4'-P-C4' energy: -151.417 flat angles P-C4'-P energy: -84.994 tors. eta vs tors. theta energy: -193.438 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: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -2242.695774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2242.695774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2242.695774 (E_RNA) where: Base-Base interactions energy: -1529.889 where: short stacking energy: -650.876 Base-Backbone interact. energy: -0.978 local terms energy: -711.828168 where: bonds (distance) C4'-P energy: -143.789 bonds (distance) P-C4' energy: -159.263 flat angles C4'-P-C4' energy: -154.992 flat angles P-C4'-P energy: -107.813 tors. eta vs tors. theta energy: -145.971 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: 6 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1980.722968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.722968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.722968 (E_RNA) where: Base-Base interactions energy: -1297.713 where: short stacking energy: -564.407 Base-Backbone interact. energy: -0.319 local terms energy: -682.690643 where: bonds (distance) C4'-P energy: -145.701 bonds (distance) P-C4' energy: -152.650 flat angles C4'-P-C4' energy: -155.462 flat angles P-C4'-P energy: -97.617 tors. eta vs tors. theta energy: -131.260 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: 9, replica: 3 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -1646.774917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.774917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.774917 (E_RNA) where: Base-Base interactions energy: -1007.487 where: short stacking energy: -478.099 Base-Backbone interact. energy: -0.617 local terms energy: -638.670831 where: bonds (distance) C4'-P energy: -151.589 bonds (distance) P-C4' energy: -155.655 flat angles C4'-P-C4' energy: -141.794 flat angles P-C4'-P energy: -108.186 tors. eta vs tors. theta energy: -81.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -1214.464107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.464107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.464107 (E_RNA) where: Base-Base interactions energy: -693.216 where: short stacking energy: -347.339 Base-Backbone interact. energy: 0.818 local terms energy: -522.065790 where: bonds (distance) C4'-P energy: -132.762 bonds (distance) P-C4' energy: -149.117 flat angles C4'-P-C4' energy: -135.867 flat angles P-C4'-P energy: -76.908 tors. eta vs tors. theta energy: -27.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -3189.933538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.933538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.933538 (E_RNA) where: Base-Base interactions energy: -2242.044 where: short stacking energy: -950.294 Base-Backbone interact. energy: -1.024 local terms energy: -946.865231 where: bonds (distance) C4'-P energy: -169.307 bonds (distance) P-C4' energy: -180.182 flat angles C4'-P-C4' energy: -188.720 flat angles P-C4'-P energy: -135.079 tors. eta vs tors. theta energy: -273.578 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: 8 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -3039.409695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.409695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.409695 (E_RNA) where: Base-Base interactions energy: -2121.750 where: short stacking energy: -881.650 Base-Backbone interact. energy: -6.678 local terms energy: -910.981277 where: bonds (distance) C4'-P energy: -166.250 bonds (distance) P-C4' energy: -173.691 flat angles C4'-P-C4' energy: -202.108 flat angles P-C4'-P energy: -131.395 tors. eta vs tors. theta energy: -237.537 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: 3, replica: 4 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -2848.500161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.500161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.500161 (E_RNA) where: Base-Base interactions energy: -1980.079 where: short stacking energy: -894.829 Base-Backbone interact. energy: -4.128 local terms energy: -864.293283 where: bonds (distance) C4'-P energy: -139.874 bonds (distance) P-C4' energy: -165.582 flat angles C4'-P-C4' energy: -194.754 flat angles P-C4'-P energy: -131.348 tors. eta vs tors. theta energy: -232.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -2654.643295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2654.643295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2654.643295 (E_RNA) where: Base-Base interactions energy: -1796.612 where: short stacking energy: -761.873 Base-Backbone interact. energy: -5.211 local terms energy: -852.820432 where: bonds (distance) C4'-P energy: -169.831 bonds (distance) P-C4' energy: -181.665 flat angles C4'-P-C4' energy: -188.553 flat angles P-C4'-P energy: -114.420 tors. eta vs tors. theta energy: -198.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -2513.131210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.131210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.131210 (E_RNA) where: Base-Base interactions energy: -1700.060 where: short stacking energy: -757.232 Base-Backbone interact. energy: -5.242 local terms energy: -807.829883 where: bonds (distance) C4'-P energy: -155.898 bonds (distance) P-C4' energy: -158.921 flat angles C4'-P-C4' energy: -187.089 flat angles P-C4'-P energy: -109.374 tors. eta vs tors. theta energy: -196.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -2409.141377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.141377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.141377 (E_RNA) where: Base-Base interactions energy: -1617.694 where: short stacking energy: -721.193 Base-Backbone interact. energy: -2.079 local terms energy: -789.368668 where: bonds (distance) C4'-P energy: -152.703 bonds (distance) P-C4' energy: -144.847 flat angles C4'-P-C4' energy: -180.076 flat angles P-C4'-P energy: -112.503 tors. eta vs tors. theta energy: -199.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -2237.814591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.814591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.814591 (E_RNA) where: Base-Base interactions energy: -1522.880 where: short stacking energy: -663.298 Base-Backbone interact. energy: -3.996 local terms energy: -710.938378 where: bonds (distance) C4'-P energy: -127.282 bonds (distance) P-C4' energy: -143.190 flat angles C4'-P-C4' energy: -165.691 flat angles P-C4'-P energy: -106.292 tors. eta vs tors. theta energy: -168.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -2016.677501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.677501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.677501 (E_RNA) where: Base-Base interactions energy: -1328.375 where: short stacking energy: -574.345 Base-Backbone interact. energy: -4.139 local terms energy: -684.163377 where: bonds (distance) C4'-P energy: -135.821 bonds (distance) P-C4' energy: -156.377 flat angles C4'-P-C4' energy: -168.706 flat angles P-C4'-P energy: -98.754 tors. eta vs tors. theta energy: -124.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -1605.826026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.826026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.826026 (E_RNA) where: Base-Base interactions energy: -1032.392 where: short stacking energy: -471.131 Base-Backbone interact. energy: -1.040 local terms energy: -572.393648 where: bonds (distance) C4'-P energy: -131.918 bonds (distance) P-C4' energy: -146.822 flat angles C4'-P-C4' energy: -135.623 flat angles P-C4'-P energy: -77.600 tors. eta vs tors. theta energy: -80.430 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: 5 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -1261.139424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.139424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.139424 (E_RNA) where: Base-Base interactions energy: -716.027 where: short stacking energy: -364.947 Base-Backbone interact. energy: -0.644 local terms energy: -544.468921 where: bonds (distance) C4'-P energy: -126.335 bonds (distance) P-C4' energy: -153.869 flat angles C4'-P-C4' energy: -139.738 flat angles P-C4'-P energy: -85.035 tors. eta vs tors. theta energy: -39.492 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: 7 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -3167.905473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.905473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.905473 (E_RNA) where: Base-Base interactions energy: -2210.698 where: short stacking energy: -905.968 Base-Backbone interact. energy: -7.877 local terms energy: -949.329925 where: bonds (distance) C4'-P energy: -182.207 bonds (distance) P-C4' energy: -182.250 flat angles C4'-P-C4' energy: -195.132 flat angles P-C4'-P energy: -131.814 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: 2, replica: 8 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -2988.385558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.385558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.385558 (E_RNA) where: Base-Base interactions energy: -2068.440 where: short stacking energy: -864.654 Base-Backbone interact. energy: -5.526 local terms energy: -914.420349 where: bonds (distance) C4'-P energy: -174.387 bonds (distance) P-C4' energy: -187.410 flat angles C4'-P-C4' energy: -198.235 flat angles P-C4'-P energy: -119.241 tors. eta vs tors. theta energy: -235.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -2832.468004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.468004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.468004 (E_RNA) where: Base-Base interactions energy: -1926.687 where: short stacking energy: -856.455 Base-Backbone interact. energy: -1.846 local terms energy: -903.934513 where: bonds (distance) C4'-P energy: -159.838 bonds (distance) P-C4' energy: -187.551 flat angles C4'-P-C4' energy: -212.675 flat angles P-C4'-P energy: -108.298 tors. eta vs tors. theta energy: -235.573 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: 10 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -2760.746555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2760.746555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2760.746555 (E_RNA) where: Base-Base interactions energy: -1890.169 where: short stacking energy: -787.641 Base-Backbone interact. energy: -3.635 local terms energy: -866.942375 where: bonds (distance) C4'-P energy: -167.681 bonds (distance) P-C4' energy: -180.478 flat angles C4'-P-C4' energy: -179.446 flat angles P-C4'-P energy: -135.499 tors. eta vs tors. theta energy: -203.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -2490.492583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.492583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.492583 (E_RNA) where: Base-Base interactions energy: -1665.341 where: short stacking energy: -736.852 Base-Backbone interact. energy: -1.498 local terms energy: -823.653793 where: bonds (distance) C4'-P energy: -153.568 bonds (distance) P-C4' energy: -165.649 flat angles C4'-P-C4' energy: -178.928 flat angles P-C4'-P energy: -117.373 tors. eta vs tors. theta energy: -208.136 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: 6, replica: 2 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -2475.006833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.006833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.006833 (E_RNA) where: Base-Base interactions energy: -1659.753 where: short stacking energy: -740.224 Base-Backbone interact. energy: 0.940 local terms energy: -816.193352 where: bonds (distance) C4'-P energy: -152.735 bonds (distance) P-C4' energy: -158.306 flat angles C4'-P-C4' energy: -176.101 flat angles P-C4'-P energy: -124.719 tors. eta vs tors. theta energy: -204.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -2220.201996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2220.201996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2220.201996 (E_RNA) where: Base-Base interactions energy: -1518.241 where: short stacking energy: -640.286 Base-Backbone interact. energy: 1.937 local terms energy: -703.897980 where: bonds (distance) C4'-P energy: -136.239 bonds (distance) P-C4' energy: -146.711 flat angles C4'-P-C4' energy: -155.755 flat angles P-C4'-P energy: -106.933 tors. eta vs tors. theta energy: -158.260 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: 6 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1936.736151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.736151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.736151 (E_RNA) where: Base-Base interactions energy: -1254.840 where: short stacking energy: -558.962 Base-Backbone interact. energy: -1.219 local terms energy: -680.677404 where: bonds (distance) C4'-P energy: -153.092 bonds (distance) P-C4' energy: -154.501 flat angles C4'-P-C4' energy: -160.742 flat angles P-C4'-P energy: -90.315 tors. eta vs tors. theta energy: -122.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -1635.645677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.645677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.645677 (E_RNA) where: Base-Base interactions energy: -1023.480 where: short stacking energy: -465.419 Base-Backbone interact. energy: 7.441 local terms energy: -619.606274 where: bonds (distance) C4'-P energy: -163.537 bonds (distance) P-C4' energy: -148.808 flat angles C4'-P-C4' energy: -155.755 flat angles P-C4'-P energy: -71.063 tors. eta vs tors. theta energy: -80.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -1282.428229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.428229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.428229 (E_RNA) where: Base-Base interactions energy: -735.465 where: short stacking energy: -386.259 Base-Backbone interact. energy: 0.808 local terms energy: -547.771354 where: bonds (distance) C4'-P energy: -135.308 bonds (distance) P-C4' energy: -133.029 flat angles C4'-P-C4' energy: -151.247 flat angles P-C4'-P energy: -88.640 tors. eta vs tors. theta energy: -39.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -3166.816233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.816233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.816233 (E_RNA) where: Base-Base interactions energy: -2209.629 where: short stacking energy: -919.971 Base-Backbone interact. energy: -3.433 local terms energy: -953.754147 where: bonds (distance) C4'-P energy: -185.739 bonds (distance) P-C4' energy: -187.102 flat angles C4'-P-C4' energy: -194.791 flat angles P-C4'-P energy: -131.130 tors. eta vs tors. theta energy: -254.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -2964.204581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.204581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.204581 (E_RNA) where: Base-Base interactions energy: -2051.021 where: short stacking energy: -854.966 Base-Backbone interact. energy: -5.469 local terms energy: -907.714638 where: bonds (distance) C4'-P energy: -165.598 bonds (distance) P-C4' energy: -179.717 flat angles C4'-P-C4' energy: -196.332 flat angles P-C4'-P energy: -134.310 tors. eta vs tors. theta energy: -231.759 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: 3, replica: 4 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -2775.760872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.760872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.760872 (E_RNA) where: Base-Base interactions energy: -1898.270 where: short stacking energy: -836.418 Base-Backbone interact. energy: -0.219 local terms energy: -877.272530 where: bonds (distance) C4'-P energy: -166.564 bonds (distance) P-C4' energy: -165.978 flat angles C4'-P-C4' energy: -188.671 flat angles P-C4'-P energy: -118.479 tors. eta vs tors. theta energy: -237.581 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: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -2755.419865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.419865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.419865 (E_RNA) where: Base-Base interactions energy: -1909.362 where: short stacking energy: -815.160 Base-Backbone interact. energy: -3.430 local terms energy: -842.627457 where: bonds (distance) C4'-P energy: -167.222 bonds (distance) P-C4' energy: -165.436 flat angles C4'-P-C4' energy: -185.797 flat angles P-C4'-P energy: -107.587 tors. eta vs tors. theta energy: -216.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -2489.677247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.677247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.677247 (E_RNA) where: Base-Base interactions energy: -1682.050 where: short stacking energy: -756.949 Base-Backbone interact. energy: -5.343 local terms energy: -802.284246 where: bonds (distance) C4'-P energy: -175.788 bonds (distance) P-C4' energy: -156.609 flat angles C4'-P-C4' energy: -164.463 flat angles P-C4'-P energy: -105.275 tors. eta vs tors. theta energy: -200.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -2441.317709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.317709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.317709 (E_RNA) where: Base-Base interactions energy: -1632.537 where: short stacking energy: -723.181 Base-Backbone interact. energy: 0.853 local terms energy: -809.634378 where: bonds (distance) C4'-P energy: -165.203 bonds (distance) P-C4' energy: -159.077 flat angles C4'-P-C4' energy: -176.709 flat angles P-C4'-P energy: -116.369 tors. eta vs tors. theta energy: -192.277 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: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -2212.732951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.732951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.732951 (E_RNA) where: Base-Base interactions energy: -1508.383 where: short stacking energy: -640.305 Base-Backbone interact. energy: 0.671 local terms energy: -705.021619 where: bonds (distance) C4'-P energy: -129.037 bonds (distance) P-C4' energy: -159.392 flat angles C4'-P-C4' energy: -174.819 flat angles P-C4'-P energy: -95.874 tors. eta vs tors. theta energy: -145.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -2012.485907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.485907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.485907 (E_RNA) where: Base-Base interactions energy: -1320.245 where: short stacking energy: -626.003 Base-Backbone interact. energy: -0.823 local terms energy: -691.417872 where: bonds (distance) C4'-P energy: -138.277 bonds (distance) P-C4' energy: -152.925 flat angles C4'-P-C4' energy: -157.876 flat angles P-C4'-P energy: -99.377 tors. eta vs tors. theta energy: -142.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -1589.584944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.584944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.584944 (E_RNA) where: Base-Base interactions energy: -992.606 where: short stacking energy: -455.977 Base-Backbone interact. energy: 6.029 local terms energy: -603.007104 where: bonds (distance) C4'-P energy: -142.268 bonds (distance) P-C4' energy: -146.823 flat angles C4'-P-C4' energy: -146.927 flat angles P-C4'-P energy: -71.573 tors. eta vs tors. theta energy: -95.416 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: 5 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -1239.340906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.340906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.340906 (E_RNA) where: Base-Base interactions energy: -720.994 where: short stacking energy: -381.002 Base-Backbone interact. energy: -0.739 local terms energy: -517.607703 where: bonds (distance) C4'-P energy: -123.903 bonds (distance) P-C4' energy: -126.409 flat angles C4'-P-C4' energy: -134.185 flat angles P-C4'-P energy: -87.344 tors. eta vs tors. theta energy: -45.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -3198.270970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.270970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.270970 (E_RNA) where: Base-Base interactions energy: -2215.238 where: short stacking energy: -906.475 Base-Backbone interact. energy: -4.984 local terms energy: -978.048795 where: bonds (distance) C4'-P energy: -165.864 bonds (distance) P-C4' energy: -186.040 flat angles C4'-P-C4' energy: -205.070 flat angles P-C4'-P energy: -144.925 tors. eta vs tors. theta energy: -276.151 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: 2, replica: 8 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -2983.559964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2983.559964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2983.559964 (E_RNA) where: Base-Base interactions energy: -2076.792 where: short stacking energy: -906.020 Base-Backbone interact. energy: -3.678 local terms energy: -903.089811 where: bonds (distance) C4'-P energy: -180.267 bonds (distance) P-C4' energy: -181.497 flat angles C4'-P-C4' energy: -198.262 flat angles P-C4'-P energy: -119.760 tors. eta vs tors. theta energy: -223.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -2821.355344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2821.355344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2821.355344 (E_RNA) where: Base-Base interactions energy: -1943.023 where: short stacking energy: -846.884 Base-Backbone interact. energy: -1.624 local terms energy: -876.708868 where: bonds (distance) C4'-P energy: -165.253 bonds (distance) P-C4' energy: -162.653 flat angles C4'-P-C4' energy: -192.988 flat angles P-C4'-P energy: -126.874 tors. eta vs tors. theta energy: -228.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -2696.707284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2696.707284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2696.707284 (E_RNA) where: Base-Base interactions energy: -1841.447 where: short stacking energy: -803.902 Base-Backbone interact. energy: -4.637 local terms energy: -850.623792 where: bonds (distance) C4'-P energy: -171.844 bonds (distance) P-C4' energy: -178.812 flat angles C4'-P-C4' energy: -180.422 flat angles P-C4'-P energy: -116.749 tors. eta vs tors. theta energy: -202.797 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: 1 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -2513.754932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.754932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.754932 (E_RNA) where: Base-Base interactions energy: -1697.970 where: short stacking energy: -776.961 Base-Backbone interact. energy: 0.175 local terms energy: -815.960012 where: bonds (distance) C4'-P energy: -155.217 bonds (distance) P-C4' energy: -163.401 flat angles C4'-P-C4' energy: -179.157 flat angles P-C4'-P energy: -111.961 tors. eta vs tors. theta energy: -206.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -2379.525479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.525479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.525479 (E_RNA) where: Base-Base interactions energy: -1597.676 where: short stacking energy: -682.872 Base-Backbone interact. energy: 3.495 local terms energy: -785.345103 where: bonds (distance) C4'-P energy: -167.498 bonds (distance) P-C4' energy: -148.818 flat angles C4'-P-C4' energy: -183.692 flat angles P-C4'-P energy: -99.380 tors. eta vs tors. theta energy: -185.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -2163.059090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2163.059090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2163.059090 (E_RNA) where: Base-Base interactions energy: -1459.953 where: short stacking energy: -629.140 Base-Backbone interact. energy: 4.607 local terms energy: -707.712904 where: bonds (distance) C4'-P energy: -154.016 bonds (distance) P-C4' energy: -148.503 flat angles C4'-P-C4' energy: -165.695 flat angles P-C4'-P energy: -98.800 tors. eta vs tors. theta energy: -140.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -2007.016203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.016203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.016203 (E_RNA) where: Base-Base interactions energy: -1333.158 where: short stacking energy: -597.458 Base-Backbone interact. energy: -2.043 local terms energy: -671.815091 where: bonds (distance) C4'-P energy: -142.315 bonds (distance) P-C4' energy: -141.458 flat angles C4'-P-C4' energy: -154.123 flat angles P-C4'-P energy: -92.000 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: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -1679.911519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.911519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.911519 (E_RNA) where: Base-Base interactions energy: -1068.361 where: short stacking energy: -486.479 Base-Backbone interact. energy: 7.443 local terms energy: -618.992716 where: bonds (distance) C4'-P energy: -140.278 bonds (distance) P-C4' energy: -143.403 flat angles C4'-P-C4' energy: -137.200 flat angles P-C4'-P energy: -97.646 tors. eta vs tors. theta energy: -100.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -1203.418464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.418464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.418464 (E_RNA) where: Base-Base interactions energy: -658.360 where: short stacking energy: -332.255 Base-Backbone interact. energy: -2.905 local terms energy: -542.153216 where: bonds (distance) C4'-P energy: -127.745 bonds (distance) P-C4' energy: -151.847 flat angles C4'-P-C4' energy: -132.583 flat angles P-C4'-P energy: -101.386 tors. eta vs tors. theta energy: -28.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -3184.377227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3184.377227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3184.377227 (E_RNA) where: Base-Base interactions energy: -2215.836 where: short stacking energy: -901.411 Base-Backbone interact. energy: -2.658 local terms energy: -965.882574 where: bonds (distance) C4'-P energy: -187.087 bonds (distance) P-C4' energy: -175.506 flat angles C4'-P-C4' energy: -209.055 flat angles P-C4'-P energy: -131.850 tors. eta vs tors. theta energy: -262.384 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: 8 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -3004.793295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.793295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.793295 (E_RNA) where: Base-Base interactions energy: -2064.851 where: short stacking energy: -874.963 Base-Backbone interact. energy: -4.501 local terms energy: -935.441571 where: bonds (distance) C4'-P energy: -167.354 bonds (distance) P-C4' energy: -186.535 flat angles C4'-P-C4' energy: -205.387 flat angles P-C4'-P energy: -135.710 tors. eta vs tors. theta energy: -240.456 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: 4 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -2839.045770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.045770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.045770 (E_RNA) where: Base-Base interactions energy: -1980.130 where: short stacking energy: -804.698 Base-Backbone interact. energy: -2.538 local terms energy: -856.377750 where: bonds (distance) C4'-P energy: -162.364 bonds (distance) P-C4' energy: -157.984 flat angles C4'-P-C4' energy: -181.985 flat angles P-C4'-P energy: -133.948 tors. eta vs tors. theta energy: -220.097 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: 10 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -2675.028815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2675.028815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2675.028815 (E_RNA) where: Base-Base interactions energy: -1845.832 where: short stacking energy: -791.627 Base-Backbone interact. energy: -5.220 local terms energy: -823.977107 where: bonds (distance) C4'-P energy: -182.462 bonds (distance) P-C4' energy: -155.574 flat angles C4'-P-C4' energy: -173.730 flat angles P-C4'-P energy: -105.442 tors. eta vs tors. theta energy: -206.769 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: 1 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -2512.249746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.249746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.249746 (E_RNA) where: Base-Base interactions energy: -1683.897 where: short stacking energy: -789.087 Base-Backbone interact. energy: 1.433 local terms energy: -829.785427 where: bonds (distance) C4'-P energy: -162.424 bonds (distance) P-C4' energy: -169.625 flat angles C4'-P-C4' energy: -178.354 flat angles P-C4'-P energy: -100.527 tors. eta vs tors. theta energy: -218.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -2392.634462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.634462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.634462 (E_RNA) where: Base-Base interactions energy: -1600.315 where: short stacking energy: -753.841 Base-Backbone interact. energy: 0.175 local terms energy: -792.494673 where: bonds (distance) C4'-P energy: -158.278 bonds (distance) P-C4' energy: -157.443 flat angles C4'-P-C4' energy: -163.529 flat angles P-C4'-P energy: -110.241 tors. eta vs tors. theta energy: -203.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -2216.123304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2216.123304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2216.123304 (E_RNA) where: Base-Base interactions energy: -1524.210 where: short stacking energy: -641.823 Base-Backbone interact. energy: -4.365 local terms energy: -687.548159 where: bonds (distance) C4'-P energy: -139.705 bonds (distance) P-C4' energy: -135.419 flat angles C4'-P-C4' energy: -154.359 flat angles P-C4'-P energy: -103.800 tors. eta vs tors. theta energy: -154.265 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: 6 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1948.926696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.926696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.926696 (E_RNA) where: Base-Base interactions energy: -1264.392 where: short stacking energy: -556.905 Base-Backbone interact. energy: 3.347 local terms energy: -687.881670 where: bonds (distance) C4'-P energy: -137.302 bonds (distance) P-C4' energy: -181.634 flat angles C4'-P-C4' energy: -136.836 flat angles P-C4'-P energy: -111.354 tors. eta vs tors. theta energy: -120.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -1603.264359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.264359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.264359 (E_RNA) where: Base-Base interactions energy: -988.249 where: short stacking energy: -451.035 Base-Backbone interact. energy: 1.775 local terms energy: -616.790053 where: bonds (distance) C4'-P energy: -145.558 bonds (distance) P-C4' energy: -172.634 flat angles C4'-P-C4' energy: -134.434 flat angles P-C4'-P energy: -92.296 tors. eta vs tors. theta energy: -71.868 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: 5 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -1257.947989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.947989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.947989 (E_RNA) where: Base-Base interactions energy: -733.461 where: short stacking energy: -377.071 Base-Backbone interact. energy: -1.061 local terms energy: -523.426243 where: bonds (distance) C4'-P energy: -136.352 bonds (distance) P-C4' energy: -141.407 flat angles C4'-P-C4' energy: -133.238 flat angles P-C4'-P energy: -79.515 tors. eta vs tors. theta energy: -32.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -3181.708169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3181.708169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3181.708169 (E_RNA) where: Base-Base interactions energy: -2208.292 where: short stacking energy: -924.136 Base-Backbone interact. energy: -2.205 local terms energy: -971.211623 where: bonds (distance) C4'-P energy: -186.412 bonds (distance) P-C4' energy: -188.958 flat angles C4'-P-C4' energy: -193.629 flat angles P-C4'-P energy: -134.865 tors. eta vs tors. theta energy: -267.348 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: 8 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -2964.144423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2964.144423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2964.144423 (E_RNA) where: Base-Base interactions energy: -2049.900 where: short stacking energy: -868.540 Base-Backbone interact. energy: -5.935 local terms energy: -908.309118 where: bonds (distance) C4'-P energy: -174.556 bonds (distance) P-C4' energy: -184.929 flat angles C4'-P-C4' energy: -196.384 flat angles P-C4'-P energy: -130.896 tors. eta vs tors. theta energy: -221.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -2803.202334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.202334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.202334 (E_RNA) where: Base-Base interactions energy: -1916.031 where: short stacking energy: -843.064 Base-Backbone interact. energy: -1.786 local terms energy: -885.385598 where: bonds (distance) C4'-P energy: -157.707 bonds (distance) P-C4' energy: -179.118 flat angles C4'-P-C4' energy: -188.477 flat angles P-C4'-P energy: -125.620 tors. eta vs tors. theta energy: -234.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -2719.998526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.998526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.998526 (E_RNA) where: Base-Base interactions energy: -1843.896 where: short stacking energy: -795.868 Base-Backbone interact. energy: 1.244 local terms energy: -877.347011 where: bonds (distance) C4'-P energy: -157.549 bonds (distance) P-C4' energy: -174.770 flat angles C4'-P-C4' energy: -189.778 flat angles P-C4'-P energy: -128.715 tors. eta vs tors. theta energy: -226.536 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: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -2463.925369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2463.925369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2463.925369 (E_RNA) where: Base-Base interactions energy: -1643.385 where: short stacking energy: -740.862 Base-Backbone interact. energy: -3.138 local terms energy: -817.402279 where: bonds (distance) C4'-P energy: -164.393 bonds (distance) P-C4' energy: -168.307 flat angles C4'-P-C4' energy: -183.507 flat angles P-C4'-P energy: -105.570 tors. eta vs tors. theta energy: -195.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -2341.015945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.015945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.015945 (E_RNA) where: Base-Base interactions energy: -1574.480 where: short stacking energy: -699.684 Base-Backbone interact. energy: -2.464 local terms energy: -764.071454 where: bonds (distance) C4'-P energy: -139.600 bonds (distance) P-C4' energy: -158.902 flat angles C4'-P-C4' energy: -172.445 flat angles P-C4'-P energy: -106.987 tors. eta vs tors. theta energy: -186.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -2203.590162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.590162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.590162 (E_RNA) where: Base-Base interactions energy: -1495.450 where: short stacking energy: -641.366 Base-Backbone interact. energy: -0.910 local terms energy: -707.229388 where: bonds (distance) C4'-P energy: -136.465 bonds (distance) P-C4' energy: -147.571 flat angles C4'-P-C4' energy: -160.336 flat angles P-C4'-P energy: -107.530 tors. eta vs tors. theta energy: -155.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -2016.666571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2016.666571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2016.666571 (E_RNA) where: Base-Base interactions energy: -1332.237 where: short stacking energy: -640.802 Base-Backbone interact. energy: -0.061 local terms energy: -684.369303 where: bonds (distance) C4'-P energy: -147.485 bonds (distance) P-C4' energy: -138.554 flat angles C4'-P-C4' energy: -152.783 flat angles P-C4'-P energy: -103.540 tors. eta vs tors. theta energy: -142.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -1690.677328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.677328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.677328 (E_RNA) where: Base-Base interactions energy: -1043.603 where: short stacking energy: -498.482 Base-Backbone interact. energy: 1.469 local terms energy: -648.543551 where: bonds (distance) C4'-P energy: -151.250 bonds (distance) P-C4' energy: -153.420 flat angles C4'-P-C4' energy: -145.473 flat angles P-C4'-P energy: -95.810 tors. eta vs tors. theta energy: -102.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -1246.498249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.498249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.498249 (E_RNA) where: Base-Base interactions energy: -777.321 where: short stacking energy: -377.531 Base-Backbone interact. energy: 6.643 local terms energy: -475.819260 where: bonds (distance) C4'-P energy: -119.730 bonds (distance) P-C4' energy: -124.789 flat angles C4'-P-C4' energy: -113.368 flat angles P-C4'-P energy: -101.817 tors. eta vs tors. theta energy: -16.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -3196.396366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3196.396366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3196.396366 (E_RNA) where: Base-Base interactions energy: -2228.925 where: short stacking energy: -909.699 Base-Backbone interact. energy: -3.839 local terms energy: -963.632657 where: bonds (distance) C4'-P energy: -160.241 bonds (distance) P-C4' energy: -195.292 flat angles C4'-P-C4' energy: -204.523 flat angles P-C4'-P energy: -139.766 tors. eta vs tors. theta energy: -263.811 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: 2, replica: 8 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -2976.108782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.108782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.108782 (E_RNA) where: Base-Base interactions energy: -2060.029 where: short stacking energy: -852.374 Base-Backbone interact. energy: -0.910 local terms energy: -915.169426 where: bonds (distance) C4'-P energy: -175.203 bonds (distance) P-C4' energy: -178.583 flat angles C4'-P-C4' energy: -206.065 flat angles P-C4'-P energy: -129.983 tors. eta vs tors. theta energy: -225.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -2844.672025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2844.672025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2844.672025 (E_RNA) where: Base-Base interactions energy: -1955.622 where: short stacking energy: -870.326 Base-Backbone interact. energy: -2.975 local terms energy: -886.075394 where: bonds (distance) C4'-P energy: -149.285 bonds (distance) P-C4' energy: -174.726 flat angles C4'-P-C4' energy: -194.967 flat angles P-C4'-P energy: -118.640 tors. eta vs tors. theta energy: -248.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -2721.418883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.418883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.418883 (E_RNA) where: Base-Base interactions energy: -1859.490 where: short stacking energy: -820.083 Base-Backbone interact. energy: -5.515 local terms energy: -856.413428 where: bonds (distance) C4'-P energy: -173.144 bonds (distance) P-C4' energy: -182.638 flat angles C4'-P-C4' energy: -179.002 flat angles P-C4'-P energy: -113.856 tors. eta vs tors. theta energy: -207.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -2545.945216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.945216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.945216 (E_RNA) where: Base-Base interactions energy: -1712.477 where: short stacking energy: -756.669 Base-Backbone interact. energy: -6.061 local terms energy: -827.406853 where: bonds (distance) C4'-P energy: -138.627 bonds (distance) P-C4' energy: -157.965 flat angles C4'-P-C4' energy: -189.572 flat angles P-C4'-P energy: -121.901 tors. eta vs tors. theta energy: -219.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -2306.592517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.592517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.592517 (E_RNA) where: Base-Base interactions energy: -1542.397 where: short stacking energy: -665.251 Base-Backbone interact. energy: 1.930 local terms energy: -766.125480 where: bonds (distance) C4'-P energy: -147.663 bonds (distance) P-C4' energy: -147.269 flat angles C4'-P-C4' energy: -185.948 flat angles P-C4'-P energy: -119.623 tors. eta vs tors. theta energy: -165.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -2207.366268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.366268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.366268 (E_RNA) where: Base-Base interactions energy: -1503.548 where: short stacking energy: -655.816 Base-Backbone interact. energy: -2.887 local terms energy: -700.931027 where: bonds (distance) C4'-P energy: -174.175 bonds (distance) P-C4' energy: -132.297 flat angles C4'-P-C4' energy: -154.998 flat angles P-C4'-P energy: -90.587 tors. eta vs tors. theta energy: -148.874 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: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -2071.183929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.183929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.183929 (E_RNA) where: Base-Base interactions energy: -1383.840 where: short stacking energy: -621.061 Base-Backbone interact. energy: -1.462 local terms energy: -685.882834 where: bonds (distance) C4'-P energy: -146.462 bonds (distance) P-C4' energy: -140.829 flat angles C4'-P-C4' energy: -166.257 flat angles P-C4'-P energy: -82.682 tors. eta vs tors. theta energy: -149.653 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: 3 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -1741.451317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.451317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.451317 (E_RNA) where: Base-Base interactions energy: -1089.513 where: short stacking energy: -519.110 Base-Backbone interact. energy: -0.753 local terms energy: -651.185206 where: bonds (distance) C4'-P energy: -134.988 bonds (distance) P-C4' energy: -142.343 flat angles C4'-P-C4' energy: -161.869 flat angles P-C4'-P energy: -97.096 tors. eta vs tors. theta energy: -114.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -1290.397254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.397254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.397254 (E_RNA) where: Base-Base interactions energy: -798.468 where: short stacking energy: -380.548 Base-Backbone interact. energy: -3.633 local terms energy: -488.296305 where: bonds (distance) C4'-P energy: -125.482 bonds (distance) P-C4' energy: -140.750 flat angles C4'-P-C4' energy: -136.557 flat angles P-C4'-P energy: -64.647 tors. eta vs tors. theta energy: -20.861 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: 7 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -3160.261061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.261061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.261061 (E_RNA) where: Base-Base interactions energy: -2197.233 where: short stacking energy: -908.743 Base-Backbone interact. energy: -3.417 local terms energy: -959.610814 where: bonds (distance) C4'-P energy: -181.914 bonds (distance) P-C4' energy: -188.150 flat angles C4'-P-C4' energy: -197.719 flat angles P-C4'-P energy: -129.432 tors. eta vs tors. theta energy: -262.396 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: 8 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -2989.080663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.080663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.080663 (E_RNA) where: Base-Base interactions energy: -2053.294 where: short stacking energy: -866.477 Base-Backbone interact. energy: -4.078 local terms energy: -931.708843 where: bonds (distance) C4'-P energy: -192.710 bonds (distance) P-C4' energy: -178.813 flat angles C4'-P-C4' energy: -203.289 flat angles P-C4'-P energy: -131.106 tors. eta vs tors. theta energy: -225.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -2826.250157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.250157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.250157 (E_RNA) where: Base-Base interactions energy: -1912.581 where: short stacking energy: -811.181 Base-Backbone interact. energy: -1.593 local terms energy: -912.076368 where: bonds (distance) C4'-P energy: -185.028 bonds (distance) P-C4' energy: -176.287 flat angles C4'-P-C4' energy: -198.395 flat angles P-C4'-P energy: -123.677 tors. eta vs tors. theta energy: -228.689 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: 4, replica: 10 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -2705.076184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.076184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.076184 (E_RNA) where: Base-Base interactions energy: -1889.882 where: short stacking energy: -807.160 Base-Backbone interact. energy: 0.057 local terms energy: -815.251243 where: bonds (distance) C4'-P energy: -161.404 bonds (distance) P-C4' energy: -163.907 flat angles C4'-P-C4' energy: -187.499 flat angles P-C4'-P energy: -99.439 tors. eta vs tors. theta energy: -203.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -2563.203700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.203700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.203700 (E_RNA) where: Base-Base interactions energy: -1727.199 where: short stacking energy: -754.166 Base-Backbone interact. energy: -1.749 local terms energy: -834.255531 where: bonds (distance) C4'-P energy: -159.222 bonds (distance) P-C4' energy: -163.558 flat angles C4'-P-C4' energy: -176.517 flat angles P-C4'-P energy: -123.322 tors. eta vs tors. theta energy: -211.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -2313.279061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2313.279061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2313.279061 (E_RNA) where: Base-Base interactions energy: -1536.423 where: short stacking energy: -648.738 Base-Backbone interact. energy: -1.340 local terms energy: -775.515862 where: bonds (distance) C4'-P energy: -160.164 bonds (distance) P-C4' energy: -149.262 flat angles C4'-P-C4' energy: -189.294 flat angles P-C4'-P energy: -106.664 tors. eta vs tors. theta energy: -170.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -2224.545353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.545353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.545353 (E_RNA) where: Base-Base interactions energy: -1484.154 where: short stacking energy: -648.694 Base-Backbone interact. energy: -5.253 local terms energy: -735.137784 where: bonds (distance) C4'-P energy: -142.784 bonds (distance) P-C4' energy: -163.075 flat angles C4'-P-C4' energy: -172.569 flat angles P-C4'-P energy: -97.926 tors. eta vs tors. theta energy: -158.783 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: 8, replica: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -2046.298246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.298246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.298246 (E_RNA) where: Base-Base interactions energy: -1353.766 where: short stacking energy: -600.379 Base-Backbone interact. energy: 0.685 local terms energy: -693.217723 where: bonds (distance) C4'-P energy: -158.752 bonds (distance) P-C4' energy: -151.828 flat angles C4'-P-C4' energy: -159.202 flat angles P-C4'-P energy: -92.119 tors. eta vs tors. theta energy: -131.317 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: 9, replica: 3 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -1706.490995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.490995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.490995 (E_RNA) where: Base-Base interactions energy: -1105.632 where: short stacking energy: -505.936 Base-Backbone interact. energy: -1.173 local terms energy: -599.685291 where: bonds (distance) C4'-P energy: -145.788 bonds (distance) P-C4' energy: -158.124 flat angles C4'-P-C4' energy: -121.406 flat angles P-C4'-P energy: -88.828 tors. eta vs tors. theta energy: -85.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -1277.136270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.136270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.136270 (E_RNA) where: Base-Base interactions energy: -742.546 where: short stacking energy: -348.353 Base-Backbone interact. energy: -0.686 local terms energy: -533.904497 where: bonds (distance) C4'-P energy: -132.164 bonds (distance) P-C4' energy: -162.841 flat angles C4'-P-C4' energy: -124.333 flat angles P-C4'-P energy: -89.974 tors. eta vs tors. theta energy: -24.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -3226.944833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.944833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.944833 (E_RNA) where: Base-Base interactions energy: -2255.684 where: short stacking energy: -944.197 Base-Backbone interact. energy: -2.878 local terms energy: -968.383429 where: bonds (distance) C4'-P energy: -173.928 bonds (distance) P-C4' energy: -184.158 flat angles C4'-P-C4' energy: -199.615 flat angles P-C4'-P energy: -137.063 tors. eta vs tors. theta energy: -273.620 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: 8 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -2978.459746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.459746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.459746 (E_RNA) where: Base-Base interactions energy: -2038.482 where: short stacking energy: -847.544 Base-Backbone interact. energy: -1.242 local terms energy: -938.735515 where: bonds (distance) C4'-P energy: -178.048 bonds (distance) P-C4' energy: -185.908 flat angles C4'-P-C4' energy: -203.027 flat angles P-C4'-P energy: -128.295 tors. eta vs tors. theta energy: -243.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -2856.502954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.502954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.502954 (E_RNA) where: Base-Base interactions energy: -1964.209 where: short stacking energy: -839.014 Base-Backbone interact. energy: -3.371 local terms energy: -888.922578 where: bonds (distance) C4'-P energy: -157.158 bonds (distance) P-C4' energy: -179.280 flat angles C4'-P-C4' energy: -190.868 flat angles P-C4'-P energy: -128.812 tors. eta vs tors. theta energy: -232.804 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: 10 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -2711.776087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.776087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.776087 (E_RNA) where: Base-Base interactions energy: -1861.555 where: short stacking energy: -786.614 Base-Backbone interact. energy: -0.421 local terms energy: -849.800123 where: bonds (distance) C4'-P energy: -151.792 bonds (distance) P-C4' energy: -165.900 flat angles C4'-P-C4' energy: -194.306 flat angles P-C4'-P energy: -129.197 tors. eta vs tors. theta energy: -208.605 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: 1 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -2534.913070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.913070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.913070 (E_RNA) where: Base-Base interactions energy: -1676.687 where: short stacking energy: -718.923 Base-Backbone interact. energy: -3.420 local terms energy: -854.806724 where: bonds (distance) C4'-P energy: -170.093 bonds (distance) P-C4' energy: -172.120 flat angles C4'-P-C4' energy: -193.437 flat angles P-C4'-P energy: -124.842 tors. eta vs tors. theta energy: -194.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -2298.607547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.607547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.607547 (E_RNA) where: Base-Base interactions energy: -1544.631 where: short stacking energy: -666.468 Base-Backbone interact. energy: -2.420 local terms energy: -751.556425 where: bonds (distance) C4'-P energy: -140.785 bonds (distance) P-C4' energy: -156.205 flat angles C4'-P-C4' energy: -157.624 flat angles P-C4'-P energy: -127.238 tors. eta vs tors. theta energy: -169.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -2190.587033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.587033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.587033 (E_RNA) where: Base-Base interactions energy: -1444.165 where: short stacking energy: -640.159 Base-Backbone interact. energy: -2.681 local terms energy: -743.741192 where: bonds (distance) C4'-P energy: -157.680 bonds (distance) P-C4' energy: -165.962 flat angles C4'-P-C4' energy: -167.393 flat angles P-C4'-P energy: -105.221 tors. eta vs tors. theta energy: -147.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -2048.653413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.653413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.653413 (E_RNA) where: Base-Base interactions energy: -1364.105 where: short stacking energy: -600.886 Base-Backbone interact. energy: -2.785 local terms energy: -681.763256 where: bonds (distance) C4'-P energy: -123.951 bonds (distance) P-C4' energy: -155.721 flat angles C4'-P-C4' energy: -152.973 flat angles P-C4'-P energy: -97.823 tors. eta vs tors. theta energy: -151.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -1622.425375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.425375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.425375 (E_RNA) where: Base-Base interactions energy: -1021.490 where: short stacking energy: -475.833 Base-Backbone interact. energy: 2.674 local terms energy: -603.610160 where: bonds (distance) C4'-P energy: -156.556 bonds (distance) P-C4' energy: -141.013 flat angles C4'-P-C4' energy: -159.010 flat angles P-C4'-P energy: -66.888 tors. eta vs tors. theta energy: -80.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -1253.169049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.169049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.169049 (E_RNA) where: Base-Base interactions energy: -748.542 where: short stacking energy: -363.534 Base-Backbone interact. energy: -1.084 local terms energy: -503.543120 where: bonds (distance) C4'-P energy: -132.852 bonds (distance) P-C4' energy: -107.128 flat angles C4'-P-C4' energy: -144.295 flat angles P-C4'-P energy: -106.291 tors. eta vs tors. theta energy: -12.977 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: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -3166.385860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.385860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.385860 (E_RNA) where: Base-Base interactions energy: -2213.191 where: short stacking energy: -950.641 Base-Backbone interact. energy: -4.675 local terms energy: -948.520683 where: bonds (distance) C4'-P energy: -164.778 bonds (distance) P-C4' energy: -191.423 flat angles C4'-P-C4' energy: -192.638 flat angles P-C4'-P energy: -132.595 tors. eta vs tors. theta energy: -267.088 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: 2, replica: 8 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -2989.809201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.809201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.809201 (E_RNA) where: Base-Base interactions energy: -2099.800 where: short stacking energy: -868.535 Base-Backbone interact. energy: -7.102 local terms energy: -882.907393 where: bonds (distance) C4'-P energy: -165.357 bonds (distance) P-C4' energy: -165.291 flat angles C4'-P-C4' energy: -178.810 flat angles P-C4'-P energy: -139.525 tors. eta vs tors. theta energy: -233.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -2865.999543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2865.999543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2865.999543 (E_RNA) where: Base-Base interactions energy: -1987.096 where: short stacking energy: -852.280 Base-Backbone interact. energy: -0.869 local terms energy: -878.034797 where: bonds (distance) C4'-P energy: -168.269 bonds (distance) P-C4' energy: -161.463 flat angles C4'-P-C4' energy: -180.535 flat angles P-C4'-P energy: -133.504 tors. eta vs tors. theta energy: -234.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -2695.388167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.388167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.388167 (E_RNA) where: Base-Base interactions energy: -1838.963 where: short stacking energy: -766.122 Base-Backbone interact. energy: -0.976 local terms energy: -855.448900 where: bonds (distance) C4'-P energy: -165.339 bonds (distance) P-C4' energy: -174.992 flat angles C4'-P-C4' energy: -192.485 flat angles P-C4'-P energy: -128.270 tors. eta vs tors. theta energy: -194.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -2523.268379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2523.268379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2523.268379 (E_RNA) where: Base-Base interactions energy: -1744.571 where: short stacking energy: -735.400 Base-Backbone interact. energy: 0.140 local terms energy: -778.837553 where: bonds (distance) C4'-P energy: -137.020 bonds (distance) P-C4' energy: -155.287 flat angles C4'-P-C4' energy: -184.678 flat angles P-C4'-P energy: -102.029 tors. eta vs tors. theta energy: -199.823 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: 9 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -2269.183894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.183894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.183894 (E_RNA) where: Base-Base interactions energy: -1532.997 where: short stacking energy: -679.873 Base-Backbone interact. energy: -1.448 local terms energy: -734.738775 where: bonds (distance) C4'-P energy: -144.324 bonds (distance) P-C4' energy: -142.563 flat angles C4'-P-C4' energy: -177.942 flat angles P-C4'-P energy: -96.022 tors. eta vs tors. theta energy: -173.887 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: 2 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -2184.453505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.453505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.453505 (E_RNA) where: Base-Base interactions energy: -1478.648 where: short stacking energy: -664.923 Base-Backbone interact. energy: 0.391 local terms energy: -706.196069 where: bonds (distance) C4'-P energy: -140.830 bonds (distance) P-C4' energy: -152.681 flat angles C4'-P-C4' energy: -143.714 flat angles P-C4'-P energy: -105.168 tors. eta vs tors. theta energy: -163.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -2020.060636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.060636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.060636 (E_RNA) where: Base-Base interactions energy: -1332.498 where: short stacking energy: -572.429 Base-Backbone interact. energy: 2.100 local terms energy: -689.662448 where: bonds (distance) C4'-P energy: -148.533 bonds (distance) P-C4' energy: -136.759 flat angles C4'-P-C4' energy: -164.214 flat angles P-C4'-P energy: -99.930 tors. eta vs tors. theta energy: -140.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -1619.287787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.287787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.287787 (E_RNA) where: Base-Base interactions energy: -1011.764 where: short stacking energy: -457.152 Base-Backbone interact. energy: 1.405 local terms energy: -608.928693 where: bonds (distance) C4'-P energy: -147.502 bonds (distance) P-C4' energy: -147.590 flat angles C4'-P-C4' energy: -138.161 flat angles P-C4'-P energy: -87.786 tors. eta vs tors. theta energy: -87.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -1271.657737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.657737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.657737 (E_RNA) where: Base-Base interactions energy: -733.176 where: short stacking energy: -367.233 Base-Backbone interact. energy: 0.607 local terms energy: -539.088562 where: bonds (distance) C4'-P energy: -130.361 bonds (distance) P-C4' energy: -141.154 flat angles C4'-P-C4' energy: -152.927 flat angles P-C4'-P energy: -93.036 tors. eta vs tors. theta energy: -21.610 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: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -3202.679070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.679070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.679070 (E_RNA) where: Base-Base interactions energy: -2195.475 where: short stacking energy: -955.801 Base-Backbone interact. energy: -2.276 local terms energy: -1004.928395 where: bonds (distance) C4'-P energy: -187.289 bonds (distance) P-C4' energy: -187.243 flat angles C4'-P-C4' energy: -217.336 flat angles P-C4'-P energy: -142.571 tors. eta vs tors. theta energy: -270.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -2997.806553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2997.806553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2997.806553 (E_RNA) where: Base-Base interactions energy: -2086.042 where: short stacking energy: -879.149 Base-Backbone interact. energy: -0.955 local terms energy: -910.809595 where: bonds (distance) C4'-P energy: -160.134 bonds (distance) P-C4' energy: -176.654 flat angles C4'-P-C4' energy: -206.762 flat angles P-C4'-P energy: -129.842 tors. eta vs tors. theta energy: -237.417 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: 4 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -2874.581499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.581499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.581499 (E_RNA) where: Base-Base interactions energy: -1981.537 where: short stacking energy: -839.938 Base-Backbone interact. energy: 1.491 local terms energy: -894.535781 where: bonds (distance) C4'-P energy: -164.017 bonds (distance) P-C4' energy: -174.146 flat angles C4'-P-C4' energy: -194.517 flat angles P-C4'-P energy: -122.438 tors. eta vs tors. theta energy: -239.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -2705.971196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.971196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.971196 (E_RNA) where: Base-Base interactions energy: -1855.679 where: short stacking energy: -819.066 Base-Backbone interact. energy: 0.282 local terms energy: -850.573707 where: bonds (distance) C4'-P energy: -161.722 bonds (distance) P-C4' energy: -171.203 flat angles C4'-P-C4' energy: -190.754 flat angles P-C4'-P energy: -116.867 tors. eta vs tors. theta energy: -210.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -2511.155073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.155073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.155073 (E_RNA) where: Base-Base interactions energy: -1691.745 where: short stacking energy: -777.963 Base-Backbone interact. energy: -0.506 local terms energy: -818.903748 where: bonds (distance) C4'-P energy: -153.043 bonds (distance) P-C4' energy: -159.301 flat angles C4'-P-C4' energy: -176.649 flat angles P-C4'-P energy: -120.449 tors. eta vs tors. theta energy: -209.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -2305.488413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2305.488413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2305.488413 (E_RNA) where: Base-Base interactions energy: -1522.142 where: short stacking energy: -671.318 Base-Backbone interact. energy: -4.513 local terms energy: -778.833212 where: bonds (distance) C4'-P energy: -158.369 bonds (distance) P-C4' energy: -167.458 flat angles C4'-P-C4' energy: -162.268 flat angles P-C4'-P energy: -113.773 tors. eta vs tors. theta energy: -176.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -2252.120314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.120314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.120314 (E_RNA) where: Base-Base interactions energy: -1485.161 where: short stacking energy: -651.088 Base-Backbone interact. energy: -0.725 local terms energy: -766.234601 where: bonds (distance) C4'-P energy: -149.979 bonds (distance) P-C4' energy: -177.894 flat angles C4'-P-C4' energy: -166.362 flat angles P-C4'-P energy: -108.145 tors. eta vs tors. theta energy: -163.854 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: 6 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -2000.300271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.300271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.300271 (E_RNA) where: Base-Base interactions energy: -1336.458 where: short stacking energy: -591.317 Base-Backbone interact. energy: 1.757 local terms energy: -665.599699 where: bonds (distance) C4'-P energy: -123.198 bonds (distance) P-C4' energy: -147.953 flat angles C4'-P-C4' energy: -176.765 flat angles P-C4'-P energy: -103.677 tors. eta vs tors. theta energy: -114.007 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: 3 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -1635.766368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.766368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.766368 (E_RNA) where: Base-Base interactions energy: -1021.924 where: short stacking energy: -474.832 Base-Backbone interact. energy: 3.772 local terms energy: -617.614432 where: bonds (distance) C4'-P energy: -124.391 bonds (distance) P-C4' energy: -145.922 flat angles C4'-P-C4' energy: -137.624 flat angles P-C4'-P energy: -117.119 tors. eta vs tors. theta energy: -92.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -1234.015366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.015366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.015366 (E_RNA) where: Base-Base interactions energy: -751.123 where: short stacking energy: -383.035 Base-Backbone interact. energy: -2.265 local terms energy: -480.627332 where: bonds (distance) C4'-P energy: -116.211 bonds (distance) P-C4' energy: -142.898 flat angles C4'-P-C4' energy: -111.092 flat angles P-C4'-P energy: -70.602 tors. eta vs tors. theta energy: -39.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -3195.013981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3195.013981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3195.013981 (E_RNA) where: Base-Base interactions energy: -2243.740 where: short stacking energy: -964.378 Base-Backbone interact. energy: -5.213 local terms energy: -946.061163 where: bonds (distance) C4'-P energy: -162.747 bonds (distance) P-C4' energy: -181.140 flat angles C4'-P-C4' energy: -196.315 flat angles P-C4'-P energy: -132.685 tors. eta vs tors. theta energy: -273.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -2991.267781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.267781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.267781 (E_RNA) where: Base-Base interactions energy: -2078.536 where: short stacking energy: -901.020 Base-Backbone interact. energy: -0.439 local terms energy: -912.292703 where: bonds (distance) C4'-P energy: -177.787 bonds (distance) P-C4' energy: -181.738 flat angles C4'-P-C4' energy: -192.956 flat angles P-C4'-P energy: -128.927 tors. eta vs tors. theta energy: -230.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -2856.198963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2856.198963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2856.198963 (E_RNA) where: Base-Base interactions energy: -1978.687 where: short stacking energy: -843.894 Base-Backbone interact. energy: -5.649 local terms energy: -871.863107 where: bonds (distance) C4'-P energy: -169.884 bonds (distance) P-C4' energy: -158.057 flat angles C4'-P-C4' energy: -188.838 flat angles P-C4'-P energy: -113.862 tors. eta vs tors. theta energy: -241.222 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: 10 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -2653.151267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2653.151267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2653.151267 (E_RNA) where: Base-Base interactions energy: -1809.217 where: short stacking energy: -785.002 Base-Backbone interact. energy: -2.290 local terms energy: -841.643816 where: bonds (distance) C4'-P energy: -153.418 bonds (distance) P-C4' energy: -169.091 flat angles C4'-P-C4' energy: -195.633 flat angles P-C4'-P energy: -110.899 tors. eta vs tors. theta energy: -212.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -2475.273872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2475.273872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2475.273872 (E_RNA) where: Base-Base interactions energy: -1669.277 where: short stacking energy: -753.961 Base-Backbone interact. energy: -1.454 local terms energy: -804.542873 where: bonds (distance) C4'-P energy: -145.847 bonds (distance) P-C4' energy: -160.722 flat angles C4'-P-C4' energy: -182.949 flat angles P-C4'-P energy: -122.784 tors. eta vs tors. theta energy: -192.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -2280.286964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.286964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.286964 (E_RNA) where: Base-Base interactions energy: -1514.015 where: short stacking energy: -690.193 Base-Backbone interact. energy: 0.525 local terms energy: -766.797103 where: bonds (distance) C4'-P energy: -147.016 bonds (distance) P-C4' energy: -152.558 flat angles C4'-P-C4' energy: -173.118 flat angles P-C4'-P energy: -105.814 tors. eta vs tors. theta energy: -188.291 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: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -2256.213070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2256.213070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2256.213070 (E_RNA) where: Base-Base interactions energy: -1513.704 where: short stacking energy: -674.605 Base-Backbone interact. energy: -1.419 local terms energy: -741.089922 where: bonds (distance) C4'-P energy: -143.619 bonds (distance) P-C4' energy: -144.001 flat angles C4'-P-C4' energy: -173.481 flat angles P-C4'-P energy: -116.804 tors. eta vs tors. theta energy: -163.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -2085.955502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.955502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.955502 (E_RNA) where: Base-Base interactions energy: -1385.360 where: short stacking energy: -594.580 Base-Backbone interact. energy: -2.565 local terms energy: -698.030292 where: bonds (distance) C4'-P energy: -129.521 bonds (distance) P-C4' energy: -174.612 flat angles C4'-P-C4' energy: -145.014 flat angles P-C4'-P energy: -91.942 tors. eta vs tors. theta energy: -156.942 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: 3 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -1608.131459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.131459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.131459 (E_RNA) where: Base-Base interactions energy: -977.640 where: short stacking energy: -479.843 Base-Backbone interact. energy: -0.335 local terms energy: -630.156726 where: bonds (distance) C4'-P energy: -152.189 bonds (distance) P-C4' energy: -166.615 flat angles C4'-P-C4' energy: -141.968 flat angles P-C4'-P energy: -85.533 tors. eta vs tors. theta energy: -83.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -1248.530185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.530185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.530185 (E_RNA) where: Base-Base interactions energy: -726.308 where: short stacking energy: -359.369 Base-Backbone interact. energy: 5.477 local terms energy: -527.698912 where: bonds (distance) C4'-P energy: -158.834 bonds (distance) P-C4' energy: -149.718 flat angles C4'-P-C4' energy: -117.491 flat angles P-C4'-P energy: -72.337 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: 1, replica: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -3220.336648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.336648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.336648 (E_RNA) where: Base-Base interactions energy: -2255.956 where: short stacking energy: -973.455 Base-Backbone interact. energy: -5.687 local terms energy: -958.694240 where: bonds (distance) C4'-P energy: -164.964 bonds (distance) P-C4' energy: -174.345 flat angles C4'-P-C4' energy: -212.293 flat angles P-C4'-P energy: -133.106 tors. eta vs tors. theta energy: -273.987 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: 8 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -2970.228778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.228778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.228778 (E_RNA) where: Base-Base interactions energy: -2076.262 where: short stacking energy: -876.738 Base-Backbone interact. energy: -4.445 local terms energy: -889.521847 where: bonds (distance) C4'-P energy: -179.508 bonds (distance) P-C4' energy: -174.079 flat angles C4'-P-C4' energy: -192.641 flat angles P-C4'-P energy: -122.390 tors. eta vs tors. theta energy: -220.903 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: 4 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -2862.570896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.570896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.570896 (E_RNA) where: Base-Base interactions energy: -1971.890 where: short stacking energy: -799.767 Base-Backbone interact. energy: -3.732 local terms energy: -886.949021 where: bonds (distance) C4'-P energy: -180.755 bonds (distance) P-C4' energy: -166.140 flat angles C4'-P-C4' energy: -184.237 flat angles P-C4'-P energy: -128.828 tors. eta vs tors. theta energy: -226.988 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: 4, replica: 10 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -2697.232709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.232709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.232709 (E_RNA) where: Base-Base interactions energy: -1861.237 where: short stacking energy: -771.740 Base-Backbone interact. energy: -2.151 local terms energy: -833.844837 where: bonds (distance) C4'-P energy: -169.291 bonds (distance) P-C4' energy: -159.812 flat angles C4'-P-C4' energy: -186.682 flat angles P-C4'-P energy: -113.077 tors. eta vs tors. theta energy: -204.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -2464.761077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2464.761077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2464.761077 (E_RNA) where: Base-Base interactions energy: -1692.103 where: short stacking energy: -776.925 Base-Backbone interact. energy: 3.916 local terms energy: -776.574003 where: bonds (distance) C4'-P energy: -133.595 bonds (distance) P-C4' energy: -155.074 flat angles C4'-P-C4' energy: -169.625 flat angles P-C4'-P energy: -109.147 tors. eta vs tors. theta energy: -209.134 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: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -2282.057407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2282.057407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2282.057407 (E_RNA) where: Base-Base interactions energy: -1511.865 where: short stacking energy: -670.063 Base-Backbone interact. energy: -0.212 local terms energy: -769.981307 where: bonds (distance) C4'-P energy: -157.270 bonds (distance) P-C4' energy: -160.759 flat angles C4'-P-C4' energy: -181.117 flat angles P-C4'-P energy: -107.021 tors. eta vs tors. theta energy: -163.815 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: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -2214.561487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2214.561487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2214.561487 (E_RNA) where: Base-Base interactions energy: -1492.745 where: short stacking energy: -662.445 Base-Backbone interact. energy: 0.661 local terms energy: -722.477087 where: bonds (distance) C4'-P energy: -163.828 bonds (distance) P-C4' energy: -152.350 flat angles C4'-P-C4' energy: -162.371 flat angles P-C4'-P energy: -91.541 tors. eta vs tors. theta energy: -152.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -2033.136642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2033.136642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2033.136642 (E_RNA) where: Base-Base interactions energy: -1328.308 where: short stacking energy: -605.980 Base-Backbone interact. energy: -3.204 local terms energy: -701.624792 where: bonds (distance) C4'-P energy: -126.063 bonds (distance) P-C4' energy: -171.348 flat angles C4'-P-C4' energy: -148.300 flat angles P-C4'-P energy: -107.951 tors. eta vs tors. theta energy: -147.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -1539.519118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.519118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.519118 (E_RNA) where: Base-Base interactions energy: -953.567 where: short stacking energy: -429.769 Base-Backbone interact. energy: 3.321 local terms energy: -589.273199 where: bonds (distance) C4'-P energy: -147.815 bonds (distance) P-C4' energy: -141.109 flat angles C4'-P-C4' energy: -132.341 flat angles P-C4'-P energy: -93.360 tors. eta vs tors. theta energy: -74.649 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: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -1289.824208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.824208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.824208 (E_RNA) where: Base-Base interactions energy: -773.924 where: short stacking energy: -376.727 Base-Backbone interact. energy: 0.735 local terms energy: -516.635426 where: bonds (distance) C4'-P energy: -146.335 bonds (distance) P-C4' energy: -136.754 flat angles C4'-P-C4' energy: -132.382 flat angles P-C4'-P energy: -75.830 tors. eta vs tors. theta energy: -25.335 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: 7 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -3154.053459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3154.053459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3154.053459 (E_RNA) where: Base-Base interactions energy: -2184.383 where: short stacking energy: -926.541 Base-Backbone interact. energy: -3.783 local terms energy: -965.888311 where: bonds (distance) C4'-P energy: -175.320 bonds (distance) P-C4' energy: -189.929 flat angles C4'-P-C4' energy: -199.186 flat angles P-C4'-P energy: -136.616 tors. eta vs tors. theta energy: -264.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -2994.518434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.518434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.518434 (E_RNA) where: Base-Base interactions energy: -2095.661 where: short stacking energy: -867.943 Base-Backbone interact. energy: 4.272 local terms energy: -903.129226 where: bonds (distance) C4'-P energy: -163.906 bonds (distance) P-C4' energy: -183.929 flat angles C4'-P-C4' energy: -193.982 flat angles P-C4'-P energy: -124.314 tors. eta vs tors. theta energy: -236.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -2843.478677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.478677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.478677 (E_RNA) where: Base-Base interactions energy: -1969.933 where: short stacking energy: -822.233 Base-Backbone interact. energy: -1.281 local terms energy: -872.264719 where: bonds (distance) C4'-P energy: -157.260 bonds (distance) P-C4' energy: -170.478 flat angles C4'-P-C4' energy: -196.588 flat angles P-C4'-P energy: -120.482 tors. eta vs tors. theta energy: -227.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -2723.618713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.618713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.618713 (E_RNA) where: Base-Base interactions energy: -1883.105 where: short stacking energy: -770.537 Base-Backbone interact. energy: -3.356 local terms energy: -837.157443 where: bonds (distance) C4'-P energy: -167.459 bonds (distance) P-C4' energy: -159.221 flat angles C4'-P-C4' energy: -186.467 flat angles P-C4'-P energy: -105.750 tors. eta vs tors. theta energy: -218.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -2491.659381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.659381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.659381 (E_RNA) where: Base-Base interactions energy: -1710.683 where: short stacking energy: -767.602 Base-Backbone interact. energy: 0.429 local terms energy: -781.405077 where: bonds (distance) C4'-P energy: -143.875 bonds (distance) P-C4' energy: -151.803 flat angles C4'-P-C4' energy: -183.140 flat angles P-C4'-P energy: -115.917 tors. eta vs tors. theta energy: -186.670 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: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -2330.803046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2330.803046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2330.803046 (E_RNA) where: Base-Base interactions energy: -1535.744 where: short stacking energy: -679.064 Base-Backbone interact. energy: 0.118 local terms energy: -795.176728 where: bonds (distance) C4'-P energy: -163.504 bonds (distance) P-C4' energy: -163.046 flat angles C4'-P-C4' energy: -172.899 flat angles P-C4'-P energy: -120.571 tors. eta vs tors. theta energy: -175.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -2230.619476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2230.619476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2230.619476 (E_RNA) where: Base-Base interactions energy: -1473.313 where: short stacking energy: -641.131 Base-Backbone interact. energy: -0.500 local terms energy: -756.806360 where: bonds (distance) C4'-P energy: -153.986 bonds (distance) P-C4' energy: -161.627 flat angles C4'-P-C4' energy: -158.143 flat angles P-C4'-P energy: -112.309 tors. eta vs tors. theta energy: -170.741 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: 6 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1990.445706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1990.445706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1990.445706 (E_RNA) where: Base-Base interactions energy: -1324.094 where: short stacking energy: -586.968 Base-Backbone interact. energy: -2.954 local terms energy: -663.398496 where: bonds (distance) C4'-P energy: -137.384 bonds (distance) P-C4' energy: -140.478 flat angles C4'-P-C4' energy: -162.706 flat angles P-C4'-P energy: -90.529 tors. eta vs tors. theta energy: -132.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -1560.089354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.089354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.089354 (E_RNA) where: Base-Base interactions energy: -976.677 where: short stacking energy: -424.488 Base-Backbone interact. energy: -1.838 local terms energy: -581.574056 where: bonds (distance) C4'-P energy: -130.369 bonds (distance) P-C4' energy: -155.794 flat angles C4'-P-C4' energy: -126.837 flat angles P-C4'-P energy: -90.544 tors. eta vs tors. theta energy: -78.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -1268.312753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.312753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.312753 (E_RNA) where: Base-Base interactions energy: -737.436 where: short stacking energy: -371.437 Base-Backbone interact. energy: 1.674 local terms energy: -532.550893 where: bonds (distance) C4'-P energy: -129.886 bonds (distance) P-C4' energy: -135.707 flat angles C4'-P-C4' energy: -144.730 flat angles P-C4'-P energy: -98.734 tors. eta vs tors. theta energy: -23.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -3167.592882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.592882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.592882 (E_RNA) where: Base-Base interactions energy: -2197.114 where: short stacking energy: -946.902 Base-Backbone interact. energy: -2.323 local terms energy: -968.156550 where: bonds (distance) C4'-P energy: -177.355 bonds (distance) P-C4' energy: -181.396 flat angles C4'-P-C4' energy: -205.730 flat angles P-C4'-P energy: -138.280 tors. eta vs tors. theta energy: -265.396 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: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -3004.910938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.910938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.910938 (E_RNA) where: Base-Base interactions energy: -2097.285 where: short stacking energy: -892.344 Base-Backbone interact. energy: -4.299 local terms energy: -903.327084 where: bonds (distance) C4'-P energy: -161.206 bonds (distance) P-C4' energy: -166.286 flat angles C4'-P-C4' energy: -206.573 flat angles P-C4'-P energy: -126.828 tors. eta vs tors. theta energy: -242.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -2857.401451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.401451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.401451 (E_RNA) where: Base-Base interactions energy: -1943.164 where: short stacking energy: -852.159 Base-Backbone interact. energy: -4.970 local terms energy: -909.267876 where: bonds (distance) C4'-P energy: -164.496 bonds (distance) P-C4' energy: -170.066 flat angles C4'-P-C4' energy: -195.831 flat angles P-C4'-P energy: -136.425 tors. eta vs tors. theta energy: -242.450 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: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -2713.939662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.939662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.939662 (E_RNA) where: Base-Base interactions energy: -1861.924 where: short stacking energy: -781.924 Base-Backbone interact. energy: -2.232 local terms energy: -849.784045 where: bonds (distance) C4'-P energy: -152.207 bonds (distance) P-C4' energy: -177.901 flat angles C4'-P-C4' energy: -197.330 flat angles P-C4'-P energy: -117.086 tors. eta vs tors. theta energy: -205.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -2473.608077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.608077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.608077 (E_RNA) where: Base-Base interactions energy: -1714.949 where: short stacking energy: -766.124 Base-Backbone interact. energy: 0.374 local terms energy: -759.033893 where: bonds (distance) C4'-P energy: -153.609 bonds (distance) P-C4' energy: -147.420 flat angles C4'-P-C4' energy: -159.407 flat angles P-C4'-P energy: -92.144 tors. eta vs tors. theta energy: -206.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -2398.535213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.535213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.535213 (E_RNA) where: Base-Base interactions energy: -1628.438 where: short stacking energy: -730.906 Base-Backbone interact. energy: -4.082 local terms energy: -766.014941 where: bonds (distance) C4'-P energy: -145.119 bonds (distance) P-C4' energy: -143.215 flat angles C4'-P-C4' energy: -179.829 flat angles P-C4'-P energy: -103.579 tors. eta vs tors. theta energy: -194.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -2184.066063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.066063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.066063 (E_RNA) where: Base-Base interactions energy: -1473.334 where: short stacking energy: -612.012 Base-Backbone interact. energy: -0.223 local terms energy: -710.509096 where: bonds (distance) C4'-P energy: -145.533 bonds (distance) P-C4' energy: -170.580 flat angles C4'-P-C4' energy: -159.034 flat angles P-C4'-P energy: -97.405 tors. eta vs tors. theta energy: -137.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -2093.658647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2093.658647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2093.658647 (E_RNA) where: Base-Base interactions energy: -1384.762 where: short stacking energy: -599.931 Base-Backbone interact. energy: -1.008 local terms energy: -707.888869 where: bonds (distance) C4'-P energy: -158.881 bonds (distance) P-C4' energy: -153.006 flat angles C4'-P-C4' energy: -154.949 flat angles P-C4'-P energy: -91.928 tors. eta vs tors. theta energy: -149.125 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: 3 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -1615.170671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.170671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.170671 (E_RNA) where: Base-Base interactions energy: -1021.929 where: short stacking energy: -457.447 Base-Backbone interact. energy: 1.150 local terms energy: -594.392153 where: bonds (distance) C4'-P energy: -138.509 bonds (distance) P-C4' energy: -138.135 flat angles C4'-P-C4' energy: -151.292 flat angles P-C4'-P energy: -93.445 tors. eta vs tors. theta energy: -73.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -1307.598827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.598827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.598827 (E_RNA) where: Base-Base interactions energy: -780.747 where: short stacking energy: -382.703 Base-Backbone interact. energy: -2.909 local terms energy: -523.942198 where: bonds (distance) C4'-P energy: -144.866 bonds (distance) P-C4' energy: -141.294 flat angles C4'-P-C4' energy: -117.303 flat angles P-C4'-P energy: -77.082 tors. eta vs tors. theta energy: -43.397 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: 7 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -3205.459270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.459270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.459270 (E_RNA) where: Base-Base interactions energy: -2209.893 where: short stacking energy: -935.309 Base-Backbone interact. energy: -0.350 local terms energy: -995.216381 where: bonds (distance) C4'-P energy: -186.238 bonds (distance) P-C4' energy: -192.872 flat angles C4'-P-C4' energy: -196.928 flat angles P-C4'-P energy: -138.265 tors. eta vs tors. theta energy: -280.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -3005.810325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.810325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.810325 (E_RNA) where: Base-Base interactions energy: -2086.898 where: short stacking energy: -856.869 Base-Backbone interact. energy: -1.427 local terms energy: -917.485411 where: bonds (distance) C4'-P energy: -169.352 bonds (distance) P-C4' energy: -172.618 flat angles C4'-P-C4' energy: -208.448 flat angles P-C4'-P energy: -130.568 tors. eta vs tors. theta energy: -236.500 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: 4 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -2860.454301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2860.454301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2860.454301 (E_RNA) where: Base-Base interactions energy: -1971.340 where: short stacking energy: -828.302 Base-Backbone interact. energy: 0.069 local terms energy: -889.183317 where: bonds (distance) C4'-P energy: -162.186 bonds (distance) P-C4' energy: -177.146 flat angles C4'-P-C4' energy: -199.300 flat angles P-C4'-P energy: -118.803 tors. eta vs tors. theta energy: -231.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -2746.089974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.089974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.089974 (E_RNA) where: Base-Base interactions energy: -1884.909 where: short stacking energy: -806.447 Base-Backbone interact. energy: -4.422 local terms energy: -856.759265 where: bonds (distance) C4'-P energy: -179.259 bonds (distance) P-C4' energy: -173.943 flat angles C4'-P-C4' energy: -186.122 flat angles P-C4'-P energy: -101.342 tors. eta vs tors. theta energy: -216.092 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: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -2449.586643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.586643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.586643 (E_RNA) where: Base-Base interactions energy: -1633.462 where: short stacking energy: -741.266 Base-Backbone interact. energy: 1.728 local terms energy: -817.853127 where: bonds (distance) C4'-P energy: -150.242 bonds (distance) P-C4' energy: -169.261 flat angles C4'-P-C4' energy: -180.644 flat angles P-C4'-P energy: -112.916 tors. eta vs tors. theta energy: -204.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -2390.164436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.164436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.164436 (E_RNA) where: Base-Base interactions energy: -1602.627 where: short stacking energy: -728.593 Base-Backbone interact. energy: 1.698 local terms energy: -789.235008 where: bonds (distance) C4'-P energy: -159.018 bonds (distance) P-C4' energy: -151.854 flat angles C4'-P-C4' energy: -161.765 flat angles P-C4'-P energy: -122.881 tors. eta vs tors. theta energy: -193.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -2239.952350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2239.952350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2239.952350 (E_RNA) where: Base-Base interactions energy: -1526.048 where: short stacking energy: -648.527 Base-Backbone interact. energy: -0.183 local terms energy: -713.721514 where: bonds (distance) C4'-P energy: -149.933 bonds (distance) P-C4' energy: -146.523 flat angles C4'-P-C4' energy: -159.639 flat angles P-C4'-P energy: -100.138 tors. eta vs tors. theta energy: -157.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -2096.954279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2096.954279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2096.954279 (E_RNA) where: Base-Base interactions energy: -1395.125 where: short stacking energy: -622.470 Base-Backbone interact. energy: 1.054 local terms energy: -702.883691 where: bonds (distance) C4'-P energy: -144.000 bonds (distance) P-C4' energy: -145.602 flat angles C4'-P-C4' energy: -173.696 flat angles P-C4'-P energy: -97.659 tors. eta vs tors. theta energy: -141.926 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: 3 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -1632.123483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.123483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.123483 (E_RNA) where: Base-Base interactions energy: -1068.565 where: short stacking energy: -474.550 Base-Backbone interact. energy: 6.535 local terms energy: -570.093327 where: bonds (distance) C4'-P energy: -154.019 bonds (distance) P-C4' energy: -139.462 flat angles C4'-P-C4' energy: -131.624 flat angles P-C4'-P energy: -69.420 tors. eta vs tors. theta energy: -75.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -1355.780212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.780212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.780212 (E_RNA) where: Base-Base interactions energy: -833.448 where: short stacking energy: -384.662 Base-Backbone interact. energy: 4.486 local terms energy: -526.819009 where: bonds (distance) C4'-P energy: -115.724 bonds (distance) P-C4' energy: -157.064 flat angles C4'-P-C4' energy: -129.881 flat angles P-C4'-P energy: -79.502 tors. eta vs tors. theta energy: -44.648 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: 7 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -3189.326349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3189.326349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3189.326349 (E_RNA) where: Base-Base interactions energy: -2210.615 where: short stacking energy: -955.723 Base-Backbone interact. energy: -2.319 local terms energy: -976.392813 where: bonds (distance) C4'-P energy: -161.569 bonds (distance) P-C4' energy: -193.610 flat angles C4'-P-C4' energy: -203.784 flat angles P-C4'-P energy: -150.203 tors. eta vs tors. theta energy: -267.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -3035.683321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.683321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.683321 (E_RNA) where: Base-Base interactions energy: -2109.640 where: short stacking energy: -903.612 Base-Backbone interact. energy: -2.608 local terms energy: -923.434797 where: bonds (distance) C4'-P energy: -162.300 bonds (distance) P-C4' energy: -183.316 flat angles C4'-P-C4' energy: -207.885 flat angles P-C4'-P energy: -126.780 tors. eta vs tors. theta energy: -243.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -2931.373630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2931.373630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2931.373630 (E_RNA) where: Base-Base interactions energy: -2002.865 where: short stacking energy: -836.987 Base-Backbone interact. energy: 0.714 local terms energy: -929.223270 where: bonds (distance) C4'-P energy: -163.298 bonds (distance) P-C4' energy: -176.616 flat angles C4'-P-C4' energy: -195.254 flat angles P-C4'-P energy: -141.451 tors. eta vs tors. theta energy: -252.604 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: 10 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -2758.305229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.305229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.305229 (E_RNA) where: Base-Base interactions energy: -1901.578 where: short stacking energy: -790.878 Base-Backbone interact. energy: -4.791 local terms energy: -851.936432 where: bonds (distance) C4'-P energy: -170.538 bonds (distance) P-C4' energy: -174.028 flat angles C4'-P-C4' energy: -188.025 flat angles P-C4'-P energy: -122.006 tors. eta vs tors. theta energy: -197.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -2485.872697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.872697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.872697 (E_RNA) where: Base-Base interactions energy: -1653.211 where: short stacking energy: -762.667 Base-Backbone interact. energy: -3.314 local terms energy: -829.347191 where: bonds (distance) C4'-P energy: -162.661 bonds (distance) P-C4' energy: -154.458 flat angles C4'-P-C4' energy: -186.349 flat angles P-C4'-P energy: -129.756 tors. eta vs tors. theta energy: -196.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -2407.630838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2407.630838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2407.630838 (E_RNA) where: Base-Base interactions energy: -1598.212 where: short stacking energy: -698.095 Base-Backbone interact. energy: -3.032 local terms energy: -806.386871 where: bonds (distance) C4'-P energy: -156.642 bonds (distance) P-C4' energy: -173.959 flat angles C4'-P-C4' energy: -167.859 flat angles P-C4'-P energy: -111.857 tors. eta vs tors. theta energy: -196.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -2164.019862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2164.019862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2164.019862 (E_RNA) where: Base-Base interactions energy: -1445.745 where: short stacking energy: -639.668 Base-Backbone interact. energy: -1.050 local terms energy: -717.224832 where: bonds (distance) C4'-P energy: -154.002 bonds (distance) P-C4' energy: -166.533 flat angles C4'-P-C4' energy: -162.149 flat angles P-C4'-P energy: -90.911 tors. eta vs tors. theta energy: -143.629 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: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -2110.914158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.914158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.914158 (E_RNA) where: Base-Base interactions energy: -1378.752 where: short stacking energy: -596.666 Base-Backbone interact. energy: -1.521 local terms energy: -730.641403 where: bonds (distance) C4'-P energy: -147.394 bonds (distance) P-C4' energy: -158.222 flat angles C4'-P-C4' energy: -175.320 flat angles P-C4'-P energy: -110.141 tors. eta vs tors. theta energy: -139.565 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: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -1734.212026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.212026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.212026 (E_RNA) where: Base-Base interactions energy: -1130.603 where: short stacking energy: -510.280 Base-Backbone interact. energy: -3.877 local terms energy: -599.731552 where: bonds (distance) C4'-P energy: -138.592 bonds (distance) P-C4' energy: -142.503 flat angles C4'-P-C4' energy: -130.431 flat angles P-C4'-P energy: -92.001 tors. eta vs tors. theta energy: -96.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -1368.178926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.178926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.178926 (E_RNA) where: Base-Base interactions energy: -826.587 where: short stacking energy: -391.201 Base-Backbone interact. energy: -5.416 local terms energy: -536.176231 where: bonds (distance) C4'-P energy: -144.761 bonds (distance) P-C4' energy: -138.425 flat angles C4'-P-C4' energy: -146.160 flat angles P-C4'-P energy: -63.714 tors. eta vs tors. theta energy: -43.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -3247.239123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.239123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.239123 (E_RNA) where: Base-Base interactions energy: -2254.525 where: short stacking energy: -955.885 Base-Backbone interact. energy: -1.829 local terms energy: -990.885202 where: bonds (distance) C4'-P energy: -195.941 bonds (distance) P-C4' energy: -172.210 flat angles C4'-P-C4' energy: -214.160 flat angles P-C4'-P energy: -136.471 tors. eta vs tors. theta energy: -272.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -3075.497137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.497137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.497137 (E_RNA) where: Base-Base interactions energy: -2136.083 where: short stacking energy: -896.336 Base-Backbone interact. energy: -5.639 local terms energy: -933.775195 where: bonds (distance) C4'-P energy: -172.854 bonds (distance) P-C4' energy: -178.153 flat angles C4'-P-C4' energy: -194.801 flat angles P-C4'-P energy: -135.365 tors. eta vs tors. theta energy: -252.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -2867.716542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.716542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.716542 (E_RNA) where: Base-Base interactions energy: -1984.378 where: short stacking energy: -818.863 Base-Backbone interact. energy: -0.689 local terms energy: -882.650070 where: bonds (distance) C4'-P energy: -161.669 bonds (distance) P-C4' energy: -165.335 flat angles C4'-P-C4' energy: -199.542 flat angles P-C4'-P energy: -129.367 tors. eta vs tors. theta energy: -226.736 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: 10 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -2723.457893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.457893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.457893 (E_RNA) where: Base-Base interactions energy: -1868.945 where: short stacking energy: -812.336 Base-Backbone interact. energy: 3.337 local terms energy: -857.850184 where: bonds (distance) C4'-P energy: -158.538 bonds (distance) P-C4' energy: -170.941 flat angles C4'-P-C4' energy: -172.900 flat angles P-C4'-P energy: -141.639 tors. eta vs tors. theta energy: -213.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -2591.257341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.257341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.257341 (E_RNA) where: Base-Base interactions energy: -1786.965 where: short stacking energy: -756.279 Base-Backbone interact. energy: 2.800 local terms energy: -807.092873 where: bonds (distance) C4'-P energy: -154.491 bonds (distance) P-C4' energy: -160.864 flat angles C4'-P-C4' energy: -172.153 flat angles P-C4'-P energy: -129.049 tors. eta vs tors. theta energy: -190.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -2493.731207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.731207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.731207 (E_RNA) where: Base-Base interactions energy: -1677.975 where: short stacking energy: -754.807 Base-Backbone interact. energy: 0.323 local terms energy: -816.079215 where: bonds (distance) C4'-P energy: -163.995 bonds (distance) P-C4' energy: -151.418 flat angles C4'-P-C4' energy: -178.122 flat angles P-C4'-P energy: -107.085 tors. eta vs tors. theta energy: -215.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -2192.944569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2192.944569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2192.944569 (E_RNA) where: Base-Base interactions energy: -1443.634 where: short stacking energy: -627.421 Base-Backbone interact. energy: -0.867 local terms energy: -748.442990 where: bonds (distance) C4'-P energy: -167.067 bonds (distance) P-C4' energy: -171.373 flat angles C4'-P-C4' energy: -163.325 flat angles P-C4'-P energy: -97.314 tors. eta vs tors. theta energy: -149.363 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: 6 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -2108.596110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.596110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.596110 (E_RNA) where: Base-Base interactions energy: -1390.846 where: short stacking energy: -584.642 Base-Backbone interact. energy: -2.701 local terms energy: -715.048365 where: bonds (distance) C4'-P energy: -131.125 bonds (distance) P-C4' energy: -176.887 flat angles C4'-P-C4' energy: -174.687 flat angles P-C4'-P energy: -97.836 tors. eta vs tors. theta energy: -134.513 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: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -1757.672103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.672103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.672103 (E_RNA) where: Base-Base interactions energy: -1111.076 where: short stacking energy: -504.218 Base-Backbone interact. energy: -2.657 local terms energy: -643.939621 where: bonds (distance) C4'-P energy: -144.862 bonds (distance) P-C4' energy: -144.621 flat angles C4'-P-C4' energy: -136.864 flat angles P-C4'-P energy: -103.851 tors. eta vs tors. theta energy: -113.741 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: 5 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -1263.080409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.080409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.080409 (E_RNA) where: Base-Base interactions energy: -750.820 where: short stacking energy: -355.951 Base-Backbone interact. energy: -5.736 local terms energy: -506.524459 where: bonds (distance) C4'-P energy: -140.583 bonds (distance) P-C4' energy: -136.806 flat angles C4'-P-C4' energy: -147.709 flat angles P-C4'-P energy: -61.153 tors. eta vs tors. theta energy: -20.273 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: 7 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -3206.881413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.881413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.881413 (E_RNA) where: Base-Base interactions energy: -2218.915 where: short stacking energy: -966.309 Base-Backbone interact. energy: -1.788 local terms energy: -986.178230 where: bonds (distance) C4'-P energy: -177.293 bonds (distance) P-C4' energy: -183.793 flat angles C4'-P-C4' energy: -209.615 flat angles P-C4'-P energy: -133.814 tors. eta vs tors. theta energy: -281.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -3036.104672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3036.104672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3036.104672 (E_RNA) where: Base-Base interactions energy: -2094.364 where: short stacking energy: -872.744 Base-Backbone interact. energy: -3.702 local terms energy: -938.039334 where: bonds (distance) C4'-P energy: -187.365 bonds (distance) P-C4' energy: -179.389 flat angles C4'-P-C4' energy: -205.030 flat angles P-C4'-P energy: -130.388 tors. eta vs tors. theta energy: -235.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -2878.311094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.311094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.311094 (E_RNA) where: Base-Base interactions energy: -2008.654 where: short stacking energy: -848.960 Base-Backbone interact. energy: 0.577 local terms energy: -870.233826 where: bonds (distance) C4'-P energy: -163.231 bonds (distance) P-C4' energy: -154.587 flat angles C4'-P-C4' energy: -176.448 flat angles P-C4'-P energy: -138.978 tors. eta vs tors. theta energy: -236.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -2724.085798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.085798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.085798 (E_RNA) where: Base-Base interactions energy: -1866.546 where: short stacking energy: -814.430 Base-Backbone interact. energy: -3.523 local terms energy: -854.016876 where: bonds (distance) C4'-P energy: -163.009 bonds (distance) P-C4' energy: -184.708 flat angles C4'-P-C4' energy: -174.210 flat angles P-C4'-P energy: -118.561 tors. eta vs tors. theta energy: -213.529 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: 5, replica: 2 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -2631.491083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.491083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.491083 (E_RNA) where: Base-Base interactions energy: -1778.384 where: short stacking energy: -782.403 Base-Backbone interact. energy: -0.672 local terms energy: -852.435381 where: bonds (distance) C4'-P energy: -167.710 bonds (distance) P-C4' energy: -133.575 flat angles C4'-P-C4' energy: -204.665 flat angles P-C4'-P energy: -120.335 tors. eta vs tors. theta energy: -226.151 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: 1 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -2378.830538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2378.830538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2378.830538 (E_RNA) where: Base-Base interactions energy: -1604.229 where: short stacking energy: -703.500 Base-Backbone interact. energy: -1.979 local terms energy: -772.623408 where: bonds (distance) C4'-P energy: -158.285 bonds (distance) P-C4' energy: -143.617 flat angles C4'-P-C4' energy: -173.484 flat angles P-C4'-P energy: -112.261 tors. eta vs tors. theta energy: -184.976 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: 9 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -2167.505206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2167.505206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2167.505206 (E_RNA) where: Base-Base interactions energy: -1453.045 where: short stacking energy: -622.600 Base-Backbone interact. energy: -0.719 local terms energy: -713.741085 where: bonds (distance) C4'-P energy: -143.789 bonds (distance) P-C4' energy: -152.532 flat angles C4'-P-C4' energy: -161.679 flat angles P-C4'-P energy: -105.764 tors. eta vs tors. theta energy: -149.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -2114.900564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.900564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.900564 (E_RNA) where: Base-Base interactions energy: -1414.899 where: short stacking energy: -599.897 Base-Backbone interact. energy: 1.869 local terms energy: -701.870099 where: bonds (distance) C4'-P energy: -147.260 bonds (distance) P-C4' energy: -154.352 flat angles C4'-P-C4' energy: -151.875 flat angles P-C4'-P energy: -104.415 tors. eta vs tors. theta energy: -143.967 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: 9, replica: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -1687.485521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.485521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.485521 (E_RNA) where: Base-Base interactions energy: -1095.335 where: short stacking energy: -500.324 Base-Backbone interact. energy: -0.041 local terms energy: -592.108856 where: bonds (distance) C4'-P energy: -120.544 bonds (distance) P-C4' energy: -144.085 flat angles C4'-P-C4' energy: -146.743 flat angles P-C4'-P energy: -94.918 tors. eta vs tors. theta energy: -85.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -1252.859765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.859765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.859765 (E_RNA) where: Base-Base interactions energy: -749.226 where: short stacking energy: -375.544 Base-Backbone interact. energy: -0.833 local terms energy: -502.800999 where: bonds (distance) C4'-P energy: -126.186 bonds (distance) P-C4' energy: -170.531 flat angles C4'-P-C4' energy: -123.108 flat angles P-C4'-P energy: -62.198 tors. eta vs tors. theta energy: -20.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -3206.781841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.781841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.781841 (E_RNA) where: Base-Base interactions energy: -2230.995 where: short stacking energy: -945.239 Base-Backbone interact. energy: 2.159 local terms energy: -977.945818 where: bonds (distance) C4'-P energy: -192.851 bonds (distance) P-C4' energy: -167.849 flat angles C4'-P-C4' energy: -210.040 flat angles P-C4'-P energy: -132.519 tors. eta vs tors. theta energy: -274.687 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: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -3042.180713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.180713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.180713 (E_RNA) where: Base-Base interactions energy: -2123.081 where: short stacking energy: -881.099 Base-Backbone interact. energy: -3.809 local terms energy: -915.290216 where: bonds (distance) C4'-P energy: -159.507 bonds (distance) P-C4' energy: -180.690 flat angles C4'-P-C4' energy: -196.032 flat angles P-C4'-P energy: -139.802 tors. eta vs tors. theta energy: -239.259 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: 3, replica: 4 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -2868.541103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2868.541103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2868.541103 (E_RNA) where: Base-Base interactions energy: -2000.691 where: short stacking energy: -845.155 Base-Backbone interact. energy: 1.356 local terms energy: -869.206264 where: bonds (distance) C4'-P energy: -146.268 bonds (distance) P-C4' energy: -161.301 flat angles C4'-P-C4' energy: -191.913 flat angles P-C4'-P energy: -124.312 tors. eta vs tors. theta energy: -245.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -2779.586213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.586213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.586213 (E_RNA) where: Base-Base interactions energy: -1891.212 where: short stacking energy: -814.845 Base-Backbone interact. energy: -2.540 local terms energy: -885.834450 where: bonds (distance) C4'-P energy: -174.900 bonds (distance) P-C4' energy: -184.851 flat angles C4'-P-C4' energy: -174.194 flat angles P-C4'-P energy: -117.857 tors. eta vs tors. theta energy: -234.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -2573.204792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2573.204792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2573.204792 (E_RNA) where: Base-Base interactions energy: -1783.988 where: short stacking energy: -735.566 Base-Backbone interact. energy: 2.139 local terms energy: -791.356167 where: bonds (distance) C4'-P energy: -152.734 bonds (distance) P-C4' energy: -169.874 flat angles C4'-P-C4' energy: -181.464 flat angles P-C4'-P energy: -104.071 tors. eta vs tors. theta energy: -183.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -2405.074081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2405.074081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2405.074081 (E_RNA) where: Base-Base interactions energy: -1637.246 where: short stacking energy: -698.632 Base-Backbone interact. energy: 1.975 local terms energy: -769.803104 where: bonds (distance) C4'-P energy: -154.039 bonds (distance) P-C4' energy: -140.382 flat angles C4'-P-C4' energy: -181.162 flat angles P-C4'-P energy: -108.886 tors. eta vs tors. theta energy: -185.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -2247.388431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.388431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.388431 (E_RNA) where: Base-Base interactions energy: -1508.130 where: short stacking energy: -640.236 Base-Backbone interact. energy: -0.800 local terms energy: -738.458298 where: bonds (distance) C4'-P energy: -145.424 bonds (distance) P-C4' energy: -151.601 flat angles C4'-P-C4' energy: -179.891 flat angles P-C4'-P energy: -113.444 tors. eta vs tors. theta energy: -148.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -2172.038461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.038461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.038461 (E_RNA) where: Base-Base interactions energy: -1502.034 where: short stacking energy: -651.361 Base-Backbone interact. energy: 3.846 local terms energy: -673.850047 where: bonds (distance) C4'-P energy: -130.984 bonds (distance) P-C4' energy: -130.648 flat angles C4'-P-C4' energy: -170.200 flat angles P-C4'-P energy: -72.620 tors. eta vs tors. theta energy: -169.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -1703.411873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.411873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.411873 (E_RNA) where: Base-Base interactions energy: -1092.795 where: short stacking energy: -487.413 Base-Backbone interact. energy: 1.891 local terms energy: -612.507464 where: bonds (distance) C4'-P energy: -135.723 bonds (distance) P-C4' energy: -155.067 flat angles C4'-P-C4' energy: -137.096 flat angles P-C4'-P energy: -95.144 tors. eta vs tors. theta energy: -89.478 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: 5 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -1233.119307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.119307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.119307 (E_RNA) where: Base-Base interactions energy: -740.296 where: short stacking energy: -352.765 Base-Backbone interact. energy: 0.105 local terms energy: -492.928302 where: bonds (distance) C4'-P energy: -100.150 bonds (distance) P-C4' energy: -152.514 flat angles C4'-P-C4' energy: -127.303 flat angles P-C4'-P energy: -70.983 tors. eta vs tors. theta energy: -41.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -3220.902367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.902367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.902367 (E_RNA) where: Base-Base interactions energy: -2249.268 where: short stacking energy: -964.530 Base-Backbone interact. energy: -2.527 local terms energy: -969.107380 where: bonds (distance) C4'-P energy: -178.094 bonds (distance) P-C4' energy: -177.658 flat angles C4'-P-C4' energy: -188.639 flat angles P-C4'-P energy: -143.062 tors. eta vs tors. theta energy: -281.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -3049.551625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.551625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.551625 (E_RNA) where: Base-Base interactions energy: -2090.520 where: short stacking energy: -868.873 Base-Backbone interact. energy: -4.655 local terms energy: -954.377047 where: bonds (distance) C4'-P energy: -185.980 bonds (distance) P-C4' energy: -192.979 flat angles C4'-P-C4' energy: -200.330 flat angles P-C4'-P energy: -133.020 tors. eta vs tors. theta energy: -242.069 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: 4 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -2875.937544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2875.937544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2875.937544 (E_RNA) where: Base-Base interactions energy: -1997.481 where: short stacking energy: -828.836 Base-Backbone interact. energy: 3.940 local terms energy: -882.396544 where: bonds (distance) C4'-P energy: -180.016 bonds (distance) P-C4' energy: -171.268 flat angles C4'-P-C4' energy: -185.780 flat angles P-C4'-P energy: -114.591 tors. eta vs tors. theta energy: -230.741 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: 4, replica: 10 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -2779.531499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.531499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.531499 (E_RNA) where: Base-Base interactions energy: -1907.073 where: short stacking energy: -802.839 Base-Backbone interact. energy: -0.671 local terms energy: -871.788198 where: bonds (distance) C4'-P energy: -167.458 bonds (distance) P-C4' energy: -166.924 flat angles C4'-P-C4' energy: -189.095 flat angles P-C4'-P energy: -131.074 tors. eta vs tors. theta energy: -217.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -2610.127629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2610.127629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2610.127629 (E_RNA) where: Base-Base interactions energy: -1789.428 where: short stacking energy: -753.839 Base-Backbone interact. energy: -4.291 local terms energy: -816.408934 where: bonds (distance) C4'-P energy: -155.230 bonds (distance) P-C4' energy: -160.296 flat angles C4'-P-C4' energy: -187.707 flat angles P-C4'-P energy: -107.794 tors. eta vs tors. theta energy: -205.382 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: 6, replica: 1 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -2415.405104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2415.405104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2415.405104 (E_RNA) where: Base-Base interactions energy: -1616.420 where: short stacking energy: -747.480 Base-Backbone interact. energy: -3.300 local terms energy: -795.684897 where: bonds (distance) C4'-P energy: -168.817 bonds (distance) P-C4' energy: -147.875 flat angles C4'-P-C4' energy: -173.710 flat angles P-C4'-P energy: -112.423 tors. eta vs tors. theta energy: -192.861 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: 6 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -2212.607399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2212.607399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2212.607399 (E_RNA) where: Base-Base interactions energy: -1457.369 where: short stacking energy: -625.355 Base-Backbone interact. energy: 1.505 local terms energy: -756.743000 where: bonds (distance) C4'-P energy: -157.530 bonds (distance) P-C4' energy: -156.103 flat angles C4'-P-C4' energy: -167.662 flat angles P-C4'-P energy: -120.275 tors. eta vs tors. theta energy: -155.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -2143.220408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2143.220408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2143.220408 (E_RNA) where: Base-Base interactions energy: -1438.302 where: short stacking energy: -589.572 Base-Backbone interact. energy: -4.258 local terms energy: -700.659944 where: bonds (distance) C4'-P energy: -157.718 bonds (distance) P-C4' energy: -143.531 flat angles C4'-P-C4' energy: -149.245 flat angles P-C4'-P energy: -98.918 tors. eta vs tors. theta energy: -151.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -1728.351859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.351859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.351859 (E_RNA) where: Base-Base interactions energy: -1091.582 where: short stacking energy: -468.653 Base-Backbone interact. energy: 1.592 local terms energy: -638.361252 where: bonds (distance) C4'-P energy: -152.446 bonds (distance) P-C4' energy: -148.975 flat angles C4'-P-C4' energy: -156.971 flat angles P-C4'-P energy: -94.435 tors. eta vs tors. theta energy: -85.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -1270.924779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.924779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.924779 (E_RNA) where: Base-Base interactions energy: -718.511 where: short stacking energy: -371.431 Base-Backbone interact. energy: 1.509 local terms energy: -553.922551 where: bonds (distance) C4'-P energy: -146.288 bonds (distance) P-C4' energy: -161.136 flat angles C4'-P-C4' energy: -149.313 flat angles P-C4'-P energy: -56.356 tors. eta vs tors. theta energy: -40.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -3200.352044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.352044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.352044 (E_RNA) where: Base-Base interactions energy: -2218.720 where: short stacking energy: -909.206 Base-Backbone interact. energy: -5.259 local terms energy: -976.373108 where: bonds (distance) C4'-P energy: -177.570 bonds (distance) P-C4' energy: -193.005 flat angles C4'-P-C4' energy: -213.591 flat angles P-C4'-P energy: -132.890 tors. eta vs tors. theta energy: -259.317 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: 2, replica: 8 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -3009.493179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.493179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.493179 (E_RNA) where: Base-Base interactions energy: -2105.479 where: short stacking energy: -894.396 Base-Backbone interact. energy: 0.759 local terms energy: -904.772593 where: bonds (distance) C4'-P energy: -175.956 bonds (distance) P-C4' energy: -163.491 flat angles C4'-P-C4' energy: -200.472 flat angles P-C4'-P energy: -126.650 tors. eta vs tors. theta energy: -238.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -2900.152767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.152767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.152767 (E_RNA) where: Base-Base interactions energy: -2007.320 where: short stacking energy: -840.311 Base-Backbone interact. energy: -1.679 local terms energy: -891.153901 where: bonds (distance) C4'-P energy: -150.050 bonds (distance) P-C4' energy: -180.376 flat angles C4'-P-C4' energy: -195.252 flat angles P-C4'-P energy: -137.397 tors. eta vs tors. theta energy: -228.079 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: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -2832.239212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.239212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.239212 (E_RNA) where: Base-Base interactions energy: -1981.264 where: short stacking energy: -825.652 Base-Backbone interact. energy: -1.227 local terms energy: -849.748061 where: bonds (distance) C4'-P energy: -163.045 bonds (distance) P-C4' energy: -164.794 flat angles C4'-P-C4' energy: -195.769 flat angles P-C4'-P energy: -99.810 tors. eta vs tors. theta energy: -226.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -2612.779840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.779840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.779840 (E_RNA) where: Base-Base interactions energy: -1805.235 where: short stacking energy: -774.286 Base-Backbone interact. energy: 0.147 local terms energy: -807.692456 where: bonds (distance) C4'-P energy: -146.904 bonds (distance) P-C4' energy: -159.625 flat angles C4'-P-C4' energy: -169.688 flat angles P-C4'-P energy: -121.774 tors. eta vs tors. theta energy: -209.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -2507.222265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.222265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.222265 (E_RNA) where: Base-Base interactions energy: -1745.625 where: short stacking energy: -748.915 Base-Backbone interact. energy: 7.624 local terms energy: -769.221007 where: bonds (distance) C4'-P energy: -131.914 bonds (distance) P-C4' energy: -153.633 flat angles C4'-P-C4' energy: -176.765 flat angles P-C4'-P energy: -114.221 tors. eta vs tors. theta energy: -192.688 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: 176 Temperature: 1.200000 Total energy: -2222.895426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2222.895426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2222.895426 (E_RNA) where: Base-Base interactions energy: -1495.325 where: short stacking energy: -681.843 Base-Backbone interact. energy: -2.293 local terms energy: -725.277466 where: bonds (distance) C4'-P energy: -139.345 bonds (distance) P-C4' energy: -149.515 flat angles C4'-P-C4' energy: -169.371 flat angles P-C4'-P energy: -106.975 tors. eta vs tors. theta energy: -160.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -2109.260371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.260371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.260371 (E_RNA) where: Base-Base interactions energy: -1439.299 where: short stacking energy: -593.575 Base-Backbone interact. energy: -5.359 local terms energy: -664.602444 where: bonds (distance) C4'-P energy: -139.634 bonds (distance) P-C4' energy: -138.761 flat angles C4'-P-C4' energy: -144.150 flat angles P-C4'-P energy: -100.119 tors. eta vs tors. theta energy: -141.939 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: 3 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -1770.038829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.038829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.038829 (E_RNA) where: Base-Base interactions energy: -1118.390 where: short stacking energy: -520.186 Base-Backbone interact. energy: -4.159 local terms energy: -647.489527 where: bonds (distance) C4'-P energy: -159.754 bonds (distance) P-C4' energy: -152.625 flat angles C4'-P-C4' energy: -139.916 flat angles P-C4'-P energy: -92.083 tors. eta vs tors. theta energy: -103.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -1291.316669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.316669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.316669 (E_RNA) where: Base-Base interactions energy: -760.813 where: short stacking energy: -378.792 Base-Backbone interact. energy: 4.127 local terms energy: -534.631217 where: bonds (distance) C4'-P energy: -129.909 bonds (distance) P-C4' energy: -150.127 flat angles C4'-P-C4' energy: -129.959 flat angles P-C4'-P energy: -76.077 tors. eta vs tors. theta energy: -48.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -3278.610517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3278.610517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3278.610517 (E_RNA) where: Base-Base interactions energy: -2301.598 where: short stacking energy: -939.142 Base-Backbone interact. energy: -4.126 local terms energy: -972.886284 where: bonds (distance) C4'-P energy: -177.574 bonds (distance) P-C4' energy: -180.766 flat angles C4'-P-C4' energy: -207.961 flat angles P-C4'-P energy: -138.325 tors. eta vs tors. theta energy: -268.261 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: 8 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -3024.925528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3024.925528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3024.925528 (E_RNA) where: Base-Base interactions energy: -2133.277 where: short stacking energy: -902.959 Base-Backbone interact. energy: -4.603 local terms energy: -887.045628 where: bonds (distance) C4'-P energy: -164.212 bonds (distance) P-C4' energy: -153.317 flat angles C4'-P-C4' energy: -204.426 flat angles P-C4'-P energy: -134.342 tors. eta vs tors. theta energy: -230.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -2905.916716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.916716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.916716 (E_RNA) where: Base-Base interactions energy: -2019.802 where: short stacking energy: -835.716 Base-Backbone interact. energy: 0.186 local terms energy: -886.300319 where: bonds (distance) C4'-P energy: -164.095 bonds (distance) P-C4' energy: -164.734 flat angles C4'-P-C4' energy: -180.734 flat angles P-C4'-P energy: -141.318 tors. eta vs tors. theta energy: -235.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -2780.870145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.870145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.870145 (E_RNA) where: Base-Base interactions energy: -1926.053 where: short stacking energy: -813.999 Base-Backbone interact. energy: -5.933 local terms energy: -848.883689 where: bonds (distance) C4'-P energy: -150.210 bonds (distance) P-C4' energy: -186.285 flat angles C4'-P-C4' energy: -187.346 flat angles P-C4'-P energy: -104.328 tors. eta vs tors. theta energy: -220.715 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: 2 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -2595.888316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2595.888316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2595.888316 (E_RNA) where: Base-Base interactions energy: -1763.881 where: short stacking energy: -790.827 Base-Backbone interact. energy: 2.822 local terms energy: -834.828915 where: bonds (distance) C4'-P energy: -170.321 bonds (distance) P-C4' energy: -151.085 flat angles C4'-P-C4' energy: -187.811 flat angles P-C4'-P energy: -115.198 tors. eta vs tors. theta energy: -210.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -2549.381298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2549.381298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2549.381298 (E_RNA) where: Base-Base interactions energy: -1708.907 where: short stacking energy: -768.738 Base-Backbone interact. energy: -1.028 local terms energy: -839.446419 where: bonds (distance) C4'-P energy: -154.399 bonds (distance) P-C4' energy: -160.486 flat angles C4'-P-C4' energy: -187.276 flat angles P-C4'-P energy: -110.695 tors. eta vs tors. theta energy: -226.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -2318.408786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.408786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.408786 (E_RNA) where: Base-Base interactions energy: -1581.189 where: short stacking energy: -693.430 Base-Backbone interact. energy: 2.864 local terms energy: -740.084198 where: bonds (distance) C4'-P energy: -163.443 bonds (distance) P-C4' energy: -146.229 flat angles C4'-P-C4' energy: -161.821 flat angles P-C4'-P energy: -105.756 tors. eta vs tors. theta energy: -162.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -2140.002448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2140.002448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2140.002448 (E_RNA) where: Base-Base interactions energy: -1446.649 where: short stacking energy: -609.447 Base-Backbone interact. energy: -0.740 local terms energy: -692.613229 where: bonds (distance) C4'-P energy: -124.962 bonds (distance) P-C4' energy: -151.178 flat angles C4'-P-C4' energy: -171.301 flat angles P-C4'-P energy: -95.834 tors. eta vs tors. theta energy: -149.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -1779.399183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.399183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.399183 (E_RNA) where: Base-Base interactions energy: -1193.907 where: short stacking energy: -531.298 Base-Backbone interact. energy: 3.187 local terms energy: -588.679212 where: bonds (distance) C4'-P energy: -117.101 bonds (distance) P-C4' energy: -132.753 flat angles C4'-P-C4' energy: -145.443 flat angles P-C4'-P energy: -85.448 tors. eta vs tors. theta energy: -107.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -1302.112414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.112414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.112414 (E_RNA) where: Base-Base interactions energy: -761.285 where: short stacking energy: -367.899 Base-Backbone interact. energy: 0.056 local terms energy: -540.883469 where: bonds (distance) C4'-P energy: -140.970 bonds (distance) P-C4' energy: -152.211 flat angles C4'-P-C4' energy: -138.496 flat angles P-C4'-P energy: -68.104 tors. eta vs tors. theta energy: -41.102 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: 1, replica: 7 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -3203.733518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.733518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.733518 (E_RNA) where: Base-Base interactions energy: -2276.080 where: short stacking energy: -927.367 Base-Backbone interact. energy: -3.740 local terms energy: -923.913446 where: bonds (distance) C4'-P energy: -168.498 bonds (distance) P-C4' energy: -175.732 flat angles C4'-P-C4' energy: -203.540 flat angles P-C4'-P energy: -117.262 tors. eta vs tors. theta energy: -258.881 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: 8 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -3058.036903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.036903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.036903 (E_RNA) where: Base-Base interactions energy: -2132.095 where: short stacking energy: -919.311 Base-Backbone interact. energy: -2.272 local terms energy: -923.669358 where: bonds (distance) C4'-P energy: -179.821 bonds (distance) P-C4' energy: -165.432 flat angles C4'-P-C4' energy: -212.278 flat angles P-C4'-P energy: -131.492 tors. eta vs tors. theta energy: -234.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -2837.997344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.997344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.997344 (E_RNA) where: Base-Base interactions energy: -1968.583 where: short stacking energy: -826.099 Base-Backbone interact. energy: -2.745 local terms energy: -866.669249 where: bonds (distance) C4'-P energy: -174.378 bonds (distance) P-C4' energy: -176.363 flat angles C4'-P-C4' energy: -184.351 flat angles P-C4'-P energy: -115.965 tors. eta vs tors. theta energy: -215.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -2769.422564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.422564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.422564 (E_RNA) where: Base-Base interactions energy: -1912.718 where: short stacking energy: -810.109 Base-Backbone interact. energy: -2.761 local terms energy: -853.943605 where: bonds (distance) C4'-P energy: -149.022 bonds (distance) P-C4' energy: -166.910 flat angles C4'-P-C4' energy: -189.977 flat angles P-C4'-P energy: -118.300 tors. eta vs tors. theta energy: -229.735 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: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -2579.808031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.808031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.808031 (E_RNA) where: Base-Base interactions energy: -1747.317 where: short stacking energy: -727.167 Base-Backbone interact. energy: -1.912 local terms energy: -830.579521 where: bonds (distance) C4'-P energy: -180.632 bonds (distance) P-C4' energy: -172.620 flat angles C4'-P-C4' energy: -179.072 flat angles P-C4'-P energy: -113.759 tors. eta vs tors. theta energy: -184.497 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: 6, replica: 1 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -2551.473841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.473841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.473841 (E_RNA) where: Base-Base interactions energy: -1763.001 where: short stacking energy: -775.141 Base-Backbone interact. energy: 3.811 local terms energy: -792.283385 where: bonds (distance) C4'-P energy: -138.270 bonds (distance) P-C4' energy: -155.030 flat angles C4'-P-C4' energy: -190.668 flat angles P-C4'-P energy: -91.699 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: 7, replica: 6 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -2299.143650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.143650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.143650 (E_RNA) where: Base-Base interactions energy: -1522.262 where: short stacking energy: -661.667 Base-Backbone interact. energy: 2.212 local terms energy: -779.093225 where: bonds (distance) C4'-P energy: -158.725 bonds (distance) P-C4' energy: -167.880 flat angles C4'-P-C4' energy: -175.323 flat angles P-C4'-P energy: -103.903 tors. eta vs tors. theta energy: -173.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -2041.131823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2041.131823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2041.131823 (E_RNA) where: Base-Base interactions energy: -1399.582 where: short stacking energy: -598.164 Base-Backbone interact. energy: 2.032 local terms energy: -643.582508 where: bonds (distance) C4'-P energy: -133.136 bonds (distance) P-C4' energy: -136.672 flat angles C4'-P-C4' energy: -143.532 flat angles P-C4'-P energy: -92.309 tors. eta vs tors. theta energy: -137.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -1839.554899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.554899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.554899 (E_RNA) where: Base-Base interactions energy: -1204.525 where: short stacking energy: -557.818 Base-Backbone interact. energy: -1.030 local terms energy: -634.000176 where: bonds (distance) C4'-P energy: -139.915 bonds (distance) P-C4' energy: -139.284 flat angles C4'-P-C4' energy: -140.600 flat angles P-C4'-P energy: -98.709 tors. eta vs tors. theta energy: -115.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -1259.294208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.294208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.294208 (E_RNA) where: Base-Base interactions energy: -745.871 where: short stacking energy: -343.007 Base-Backbone interact. energy: 5.276 local terms energy: -518.698857 where: bonds (distance) C4'-P energy: -99.062 bonds (distance) P-C4' energy: -157.807 flat angles C4'-P-C4' energy: -125.564 flat angles P-C4'-P energy: -91.110 tors. eta vs tors. theta energy: -45.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -3231.237430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.237430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.237430 (E_RNA) where: Base-Base interactions energy: -2274.619 where: short stacking energy: -918.400 Base-Backbone interact. energy: -7.299 local terms energy: -949.318786 where: bonds (distance) C4'-P energy: -174.748 bonds (distance) P-C4' energy: -171.685 flat angles C4'-P-C4' energy: -205.951 flat angles P-C4'-P energy: -141.934 tors. eta vs tors. theta energy: -255.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -3034.894286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.894286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.894286 (E_RNA) where: Base-Base interactions energy: -2114.383 where: short stacking energy: -884.304 Base-Backbone interact. energy: -3.026 local terms energy: -917.486142 where: bonds (distance) C4'-P energy: -183.425 bonds (distance) P-C4' energy: -174.756 flat angles C4'-P-C4' energy: -196.674 flat angles P-C4'-P energy: -125.160 tors. eta vs tors. theta energy: -237.472 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: 4 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -2877.258985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.258985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.258985 (E_RNA) where: Base-Base interactions energy: -2002.328 where: short stacking energy: -847.560 Base-Backbone interact. energy: -3.254 local terms energy: -871.676956 where: bonds (distance) C4'-P energy: -165.164 bonds (distance) P-C4' energy: -162.150 flat angles C4'-P-C4' energy: -202.634 flat angles P-C4'-P energy: -105.079 tors. eta vs tors. theta energy: -236.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -2769.391123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.391123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.391123 (E_RNA) where: Base-Base interactions energy: -1908.882 where: short stacking energy: -808.911 Base-Backbone interact. energy: -7.376 local terms energy: -853.133092 where: bonds (distance) C4'-P energy: -163.685 bonds (distance) P-C4' energy: -161.992 flat angles C4'-P-C4' energy: -197.771 flat angles P-C4'-P energy: -114.618 tors. eta vs tors. theta energy: -215.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -2547.647056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2547.647056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2547.647056 (E_RNA) where: Base-Base interactions energy: -1767.530 where: short stacking energy: -751.803 Base-Backbone interact. energy: 1.860 local terms energy: -781.977456 where: bonds (distance) C4'-P energy: -137.351 bonds (distance) P-C4' energy: -137.419 flat angles C4'-P-C4' energy: -187.270 flat angles P-C4'-P energy: -116.141 tors. eta vs tors. theta energy: -203.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -2597.311898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.311898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.311898 (E_RNA) where: Base-Base interactions energy: -1776.780 where: short stacking energy: -783.574 Base-Backbone interact. energy: 0.022 local terms energy: -820.554724 where: bonds (distance) C4'-P energy: -156.679 bonds (distance) P-C4' energy: -157.653 flat angles C4'-P-C4' energy: -175.447 flat angles P-C4'-P energy: -113.357 tors. eta vs tors. theta energy: -217.419 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: 6 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -2267.675908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.675908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.675908 (E_RNA) where: Base-Base interactions energy: -1522.420 where: short stacking energy: -658.182 Base-Backbone interact. energy: -4.571 local terms energy: -740.685243 where: bonds (distance) C4'-P energy: -146.873 bonds (distance) P-C4' energy: -162.130 flat angles C4'-P-C4' energy: -172.452 flat angles P-C4'-P energy: -95.571 tors. eta vs tors. theta energy: -163.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1978.102746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.102746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.102746 (E_RNA) where: Base-Base interactions energy: -1316.439 where: short stacking energy: -575.416 Base-Backbone interact. energy: -3.732 local terms energy: -657.932248 where: bonds (distance) C4'-P energy: -141.272 bonds (distance) P-C4' energy: -149.608 flat angles C4'-P-C4' energy: -150.052 flat angles P-C4'-P energy: -96.255 tors. eta vs tors. theta energy: -120.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -1817.619844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1817.619844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1817.619844 (E_RNA) where: Base-Base interactions energy: -1187.499 where: short stacking energy: -543.768 Base-Backbone interact. energy: -1.631 local terms energy: -628.490040 where: bonds (distance) C4'-P energy: -128.932 bonds (distance) P-C4' energy: -171.806 flat angles C4'-P-C4' energy: -146.002 flat angles P-C4'-P energy: -75.135 tors. eta vs tors. theta energy: -106.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -1317.042349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.042349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.042349 (E_RNA) where: Base-Base interactions energy: -779.060 where: short stacking energy: -381.481 Base-Backbone interact. energy: -2.793 local terms energy: -535.190005 where: bonds (distance) C4'-P energy: -139.014 bonds (distance) P-C4' energy: -144.724 flat angles C4'-P-C4' energy: -131.447 flat angles P-C4'-P energy: -81.367 tors. eta vs tors. theta energy: -38.639 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: 7 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -3253.039339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3253.039339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3253.039339 (E_RNA) where: Base-Base interactions energy: -2271.227 where: short stacking energy: -925.774 Base-Backbone interact. energy: -3.268 local terms energy: -978.544720 where: bonds (distance) C4'-P energy: -168.114 bonds (distance) P-C4' energy: -188.814 flat angles C4'-P-C4' energy: -204.990 flat angles P-C4'-P energy: -156.787 tors. eta vs tors. theta energy: -259.841 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: 8 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -2990.560997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.560997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.560997 (E_RNA) where: Base-Base interactions energy: -2044.204 where: short stacking energy: -851.180 Base-Backbone interact. energy: -4.336 local terms energy: -942.021409 where: bonds (distance) C4'-P energy: -176.339 bonds (distance) P-C4' energy: -185.255 flat angles C4'-P-C4' energy: -204.146 flat angles P-C4'-P energy: -145.847 tors. eta vs tors. theta energy: -230.435 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: 3, replica: 4 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -2888.104004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.104004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.104004 (E_RNA) where: Base-Base interactions energy: -1979.929 where: short stacking energy: -856.947 Base-Backbone interact. energy: -3.615 local terms energy: -904.559586 where: bonds (distance) C4'-P energy: -175.728 bonds (distance) P-C4' energy: -155.283 flat angles C4'-P-C4' energy: -196.557 flat angles P-C4'-P energy: -134.329 tors. eta vs tors. theta energy: -242.662 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: 10 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -2766.566608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.566608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.566608 (E_RNA) where: Base-Base interactions energy: -1919.601 where: short stacking energy: -777.005 Base-Backbone interact. energy: -1.571 local terms energy: -845.394953 where: bonds (distance) C4'-P energy: -152.004 bonds (distance) P-C4' energy: -154.895 flat angles C4'-P-C4' energy: -198.287 flat angles P-C4'-P energy: -128.378 tors. eta vs tors. theta energy: -211.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -2630.849807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.849807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.849807 (E_RNA) where: Base-Base interactions energy: -1809.123 where: short stacking energy: -793.463 Base-Backbone interact. energy: -3.300 local terms energy: -818.427067 where: bonds (distance) C4'-P energy: -147.017 bonds (distance) P-C4' energy: -168.389 flat angles C4'-P-C4' energy: -167.870 flat angles P-C4'-P energy: -112.864 tors. eta vs tors. theta energy: -222.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -2539.582691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.582691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.582691 (E_RNA) where: Base-Base interactions energy: -1756.811 where: short stacking energy: -786.026 Base-Backbone interact. energy: -4.548 local terms energy: -778.223784 where: bonds (distance) C4'-P energy: -125.423 bonds (distance) P-C4' energy: -123.530 flat angles C4'-P-C4' energy: -192.756 flat angles P-C4'-P energy: -116.864 tors. eta vs tors. theta energy: -219.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -2306.768419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.768419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.768419 (E_RNA) where: Base-Base interactions energy: -1557.496 where: short stacking energy: -676.446 Base-Backbone interact. energy: -2.322 local terms energy: -746.950726 where: bonds (distance) C4'-P energy: -125.036 bonds (distance) P-C4' energy: -162.671 flat angles C4'-P-C4' energy: -183.974 flat angles P-C4'-P energy: -97.406 tors. eta vs tors. theta energy: -177.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1999.571552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.571552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.571552 (E_RNA) where: Base-Base interactions energy: -1379.921 where: short stacking energy: -573.560 Base-Backbone interact. energy: 2.552 local terms energy: -622.201626 where: bonds (distance) C4'-P energy: -126.265 bonds (distance) P-C4' energy: -153.190 flat angles C4'-P-C4' energy: -155.487 flat angles P-C4'-P energy: -90.301 tors. eta vs tors. theta energy: -96.959 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: 3 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -1740.836392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.836392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.836392 (E_RNA) where: Base-Base interactions energy: -1141.223 where: short stacking energy: -506.541 Base-Backbone interact. energy: 0.151 local terms energy: -599.763820 where: bonds (distance) C4'-P energy: -131.488 bonds (distance) P-C4' energy: -152.481 flat angles C4'-P-C4' energy: -140.534 flat angles P-C4'-P energy: -85.253 tors. eta vs tors. theta energy: -90.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -1309.661407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.661407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.661407 (E_RNA) where: Base-Base interactions energy: -789.424 where: short stacking energy: -377.290 Base-Backbone interact. energy: -0.454 local terms energy: -519.783430 where: bonds (distance) C4'-P energy: -114.556 bonds (distance) P-C4' energy: -127.260 flat angles C4'-P-C4' energy: -136.835 flat angles P-C4'-P energy: -89.564 tors. eta vs tors. theta energy: -51.569 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: 7 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -3246.284178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.284178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.284178 (E_RNA) where: Base-Base interactions energy: -2296.559 where: short stacking energy: -953.127 Base-Backbone interact. energy: -4.840 local terms energy: -944.885412 where: bonds (distance) C4'-P energy: -187.383 bonds (distance) P-C4' energy: -182.394 flat angles C4'-P-C4' energy: -196.073 flat angles P-C4'-P energy: -128.012 tors. eta vs tors. theta energy: -251.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -3016.386063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.386063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.386063 (E_RNA) where: Base-Base interactions energy: -2101.348 where: short stacking energy: -891.695 Base-Backbone interact. energy: 1.597 local terms energy: -916.635203 where: bonds (distance) C4'-P energy: -175.168 bonds (distance) P-C4' energy: -181.799 flat angles C4'-P-C4' energy: -187.786 flat angles P-C4'-P energy: -134.542 tors. eta vs tors. theta energy: -237.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -2939.295336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2939.295336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2939.295336 (E_RNA) where: Base-Base interactions energy: -2045.931 where: short stacking energy: -864.625 Base-Backbone interact. energy: -2.626 local terms energy: -890.737844 where: bonds (distance) C4'-P energy: -174.486 bonds (distance) P-C4' energy: -155.452 flat angles C4'-P-C4' energy: -201.019 flat angles P-C4'-P energy: -121.771 tors. eta vs tors. theta energy: -238.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -2789.519565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.519565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.519565 (E_RNA) where: Base-Base interactions energy: -1931.188 where: short stacking energy: -818.836 Base-Backbone interact. energy: 0.328 local terms energy: -858.660143 where: bonds (distance) C4'-P energy: -166.739 bonds (distance) P-C4' energy: -167.120 flat angles C4'-P-C4' energy: -198.014 flat angles P-C4'-P energy: -105.912 tors. eta vs tors. theta energy: -220.875 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: 5, replica: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -2639.945050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.945050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.945050 (E_RNA) where: Base-Base interactions energy: -1835.451 where: short stacking energy: -768.029 Base-Backbone interact. energy: 1.080 local terms energy: -805.574163 where: bonds (distance) C4'-P energy: -152.092 bonds (distance) P-C4' energy: -154.641 flat angles C4'-P-C4' energy: -178.048 flat angles P-C4'-P energy: -101.986 tors. eta vs tors. theta energy: -218.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -2534.949995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.949995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.949995 (E_RNA) where: Base-Base interactions energy: -1694.401 where: short stacking energy: -768.972 Base-Backbone interact. energy: -2.519 local terms energy: -838.030516 where: bonds (distance) C4'-P energy: -156.565 bonds (distance) P-C4' energy: -166.745 flat angles C4'-P-C4' energy: -173.565 flat angles P-C4'-P energy: -107.242 tors. eta vs tors. theta energy: -233.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -2379.786757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.786757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.786757 (E_RNA) where: Base-Base interactions energy: -1610.613 where: short stacking energy: -742.668 Base-Backbone interact. energy: -1.492 local terms energy: -767.681330 where: bonds (distance) C4'-P energy: -140.020 bonds (distance) P-C4' energy: -142.561 flat angles C4'-P-C4' energy: -171.662 flat angles P-C4'-P energy: -115.151 tors. eta vs tors. theta energy: -198.287 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: 8, replica: 9 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -2053.315531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.315531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.315531 (E_RNA) where: Base-Base interactions energy: -1382.363 where: short stacking energy: -598.819 Base-Backbone interact. energy: -5.750 local terms energy: -665.202224 where: bonds (distance) C4'-P energy: -121.426 bonds (distance) P-C4' energy: -151.970 flat angles C4'-P-C4' energy: -149.627 flat angles P-C4'-P energy: -106.350 tors. eta vs tors. theta energy: -135.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -1705.458791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.458791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.458791 (E_RNA) where: Base-Base interactions energy: -1081.711 where: short stacking energy: -504.302 Base-Backbone interact. energy: 1.331 local terms energy: -625.077964 where: bonds (distance) C4'-P energy: -135.922 bonds (distance) P-C4' energy: -138.284 flat angles C4'-P-C4' energy: -153.163 flat angles P-C4'-P energy: -91.874 tors. eta vs tors. theta energy: -105.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -1281.549025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.549025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.549025 (E_RNA) where: Base-Base interactions energy: -734.515 where: short stacking energy: -346.657 Base-Backbone interact. energy: -4.229 local terms energy: -542.804730 where: bonds (distance) C4'-P energy: -142.224 bonds (distance) P-C4' energy: -149.325 flat angles C4'-P-C4' energy: -124.914 flat angles P-C4'-P energy: -101.197 tors. eta vs tors. theta energy: -25.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -3207.792773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.792773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.792773 (E_RNA) where: Base-Base interactions energy: -2258.939 where: short stacking energy: -929.057 Base-Backbone interact. energy: -1.356 local terms energy: -947.498365 where: bonds (distance) C4'-P energy: -181.497 bonds (distance) P-C4' energy: -169.035 flat angles C4'-P-C4' energy: -206.884 flat angles P-C4'-P energy: -127.539 tors. eta vs tors. theta energy: -262.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -3005.928025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.928025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.928025 (E_RNA) where: Base-Base interactions energy: -2091.291 where: short stacking energy: -887.245 Base-Backbone interact. energy: -5.329 local terms energy: -909.308751 where: bonds (distance) C4'-P energy: -182.639 bonds (distance) P-C4' energy: -165.130 flat angles C4'-P-C4' energy: -202.131 flat angles P-C4'-P energy: -134.373 tors. eta vs tors. theta energy: -225.036 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: 182 Temperature: 1.000000 Total energy: -2876.087662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.087662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.087662 (E_RNA) where: Base-Base interactions energy: -1988.223 where: short stacking energy: -819.645 Base-Backbone interact. energy: -0.618 local terms energy: -887.246022 where: bonds (distance) C4'-P energy: -176.151 bonds (distance) P-C4' energy: -177.876 flat angles C4'-P-C4' energy: -178.392 flat angles P-C4'-P energy: -116.266 tors. eta vs tors. theta energy: -238.560 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: 10 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -2788.508858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.508858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.508858 (E_RNA) where: Base-Base interactions energy: -1928.287 where: short stacking energy: -826.752 Base-Backbone interact. energy: -2.389 local terms energy: -857.832934 where: bonds (distance) C4'-P energy: -176.120 bonds (distance) P-C4' energy: -152.714 flat angles C4'-P-C4' energy: -194.722 flat angles P-C4'-P energy: -112.846 tors. eta vs tors. theta energy: -221.431 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: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -2643.440761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.440761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.440761 (E_RNA) where: Base-Base interactions energy: -1843.575 where: short stacking energy: -795.522 Base-Backbone interact. energy: 2.175 local terms energy: -802.041430 where: bonds (distance) C4'-P energy: -145.550 bonds (distance) P-C4' energy: -159.202 flat angles C4'-P-C4' energy: -158.671 flat angles P-C4'-P energy: -118.815 tors. eta vs tors. theta energy: -219.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -2469.457926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.457926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.457926 (E_RNA) where: Base-Base interactions energy: -1662.213 where: short stacking energy: -754.905 Base-Backbone interact. energy: -1.963 local terms energy: -805.281214 where: bonds (distance) C4'-P energy: -162.772 bonds (distance) P-C4' energy: -157.857 flat angles C4'-P-C4' energy: -167.974 flat angles P-C4'-P energy: -116.698 tors. eta vs tors. theta energy: -199.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -2255.972670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2255.972670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2255.972670 (E_RNA) where: Base-Base interactions energy: -1515.120 where: short stacking energy: -665.994 Base-Backbone interact. energy: -3.127 local terms energy: -737.725616 where: bonds (distance) C4'-P energy: -163.984 bonds (distance) P-C4' energy: -151.914 flat angles C4'-P-C4' energy: -178.776 flat angles P-C4'-P energy: -91.843 tors. eta vs tors. theta energy: -151.208 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: 9 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -2071.754396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.754396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.754396 (E_RNA) where: Base-Base interactions energy: -1423.976 where: short stacking energy: -598.759 Base-Backbone interact. energy: -3.094 local terms energy: -644.684276 where: bonds (distance) C4'-P energy: -132.813 bonds (distance) P-C4' energy: -163.821 flat angles C4'-P-C4' energy: -138.586 flat angles P-C4'-P energy: -84.107 tors. eta vs tors. theta energy: -125.356 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: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -1791.928423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.928423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.928423 (E_RNA) where: Base-Base interactions energy: -1163.497 where: short stacking energy: -548.193 Base-Backbone interact. energy: -0.667 local terms energy: -627.763855 where: bonds (distance) C4'-P energy: -125.097 bonds (distance) P-C4' energy: -148.349 flat angles C4'-P-C4' energy: -155.007 flat angles P-C4'-P energy: -96.385 tors. eta vs tors. theta energy: -102.926 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: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -1278.470455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.470455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.470455 (E_RNA) where: Base-Base interactions energy: -769.006 where: short stacking energy: -369.748 Base-Backbone interact. energy: 10.297 local terms energy: -519.761581 where: bonds (distance) C4'-P energy: -139.773 bonds (distance) P-C4' energy: -144.215 flat angles C4'-P-C4' energy: -152.573 flat angles P-C4'-P energy: -70.264 tors. eta vs tors. theta energy: -12.937 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: 7 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -3197.934928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.934928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.934928 (E_RNA) where: Base-Base interactions energy: -2254.576 where: short stacking energy: -934.372 Base-Backbone interact. energy: 3.001 local terms energy: -946.359955 where: bonds (distance) C4'-P energy: -161.042 bonds (distance) P-C4' energy: -176.990 flat angles C4'-P-C4' energy: -205.803 flat angles P-C4'-P energy: -135.669 tors. eta vs tors. theta energy: -266.856 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: 8 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -3032.277386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.277386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.277386 (E_RNA) where: Base-Base interactions energy: -2091.786 where: short stacking energy: -874.960 Base-Backbone interact. energy: -4.966 local terms energy: -935.525728 where: bonds (distance) C4'-P energy: -163.119 bonds (distance) P-C4' energy: -190.706 flat angles C4'-P-C4' energy: -206.526 flat angles P-C4'-P energy: -131.560 tors. eta vs tors. theta energy: -243.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -2826.404739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.404739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.404739 (E_RNA) where: Base-Base interactions energy: -1947.712 where: short stacking energy: -828.342 Base-Backbone interact. energy: -3.597 local terms energy: -875.094847 where: bonds (distance) C4'-P energy: -173.919 bonds (distance) P-C4' energy: -168.491 flat angles C4'-P-C4' energy: -198.570 flat angles P-C4'-P energy: -108.969 tors. eta vs tors. theta energy: -225.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -2793.997986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.997986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.997986 (E_RNA) where: Base-Base interactions energy: -1930.768 where: short stacking energy: -790.053 Base-Backbone interact. energy: -1.366 local terms energy: -861.863492 where: bonds (distance) C4'-P energy: -172.555 bonds (distance) P-C4' energy: -164.255 flat angles C4'-P-C4' energy: -194.526 flat angles P-C4'-P energy: -113.203 tors. eta vs tors. theta energy: -217.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -2633.773715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.773715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.773715 (E_RNA) where: Base-Base interactions energy: -1836.825 where: short stacking energy: -791.295 Base-Backbone interact. energy: -2.530 local terms energy: -794.418611 where: bonds (distance) C4'-P energy: -143.771 bonds (distance) P-C4' energy: -156.615 flat angles C4'-P-C4' energy: -172.093 flat angles P-C4'-P energy: -119.909 tors. eta vs tors. theta energy: -202.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -2471.991519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.991519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.991519 (E_RNA) where: Base-Base interactions energy: -1664.238 where: short stacking energy: -716.728 Base-Backbone interact. energy: -1.938 local terms energy: -805.815869 where: bonds (distance) C4'-P energy: -155.116 bonds (distance) P-C4' energy: -153.437 flat angles C4'-P-C4' energy: -190.875 flat angles P-C4'-P energy: -100.993 tors. eta vs tors. theta energy: -205.395 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: 183 Temperature: 1.200000 Total energy: -2187.697194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.697194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.697194 (E_RNA) where: Base-Base interactions energy: -1448.926 where: short stacking energy: -647.904 Base-Backbone interact. energy: -2.107 local terms energy: -736.664202 where: bonds (distance) C4'-P energy: -151.641 bonds (distance) P-C4' energy: -161.518 flat angles C4'-P-C4' energy: -159.809 flat angles P-C4'-P energy: -101.358 tors. eta vs tors. theta energy: -162.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1996.417032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.417032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.417032 (E_RNA) where: Base-Base interactions energy: -1338.738 where: short stacking energy: -568.416 Base-Backbone interact. energy: 2.584 local terms energy: -660.263282 where: bonds (distance) C4'-P energy: -125.481 bonds (distance) P-C4' energy: -147.756 flat angles C4'-P-C4' energy: -174.268 flat angles P-C4'-P energy: -90.649 tors. eta vs tors. theta energy: -122.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -1766.050666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.050666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.050666 (E_RNA) where: Base-Base interactions energy: -1142.837 where: short stacking energy: -500.475 Base-Backbone interact. energy: -2.121 local terms energy: -621.092664 where: bonds (distance) C4'-P energy: -143.022 bonds (distance) P-C4' energy: -145.654 flat angles C4'-P-C4' energy: -151.845 flat angles P-C4'-P energy: -93.333 tors. eta vs tors. theta energy: -87.239 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: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -1239.139501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.139501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.139501 (E_RNA) where: Base-Base interactions energy: -729.623 where: short stacking energy: -322.549 Base-Backbone interact. energy: 5.125 local terms energy: -514.641866 where: bonds (distance) C4'-P energy: -136.259 bonds (distance) P-C4' energy: -154.365 flat angles C4'-P-C4' energy: -137.080 flat angles P-C4'-P energy: -73.453 tors. eta vs tors. theta energy: -13.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -3192.051319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.051319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.051319 (E_RNA) where: Base-Base interactions energy: -2244.674 where: short stacking energy: -922.412 Base-Backbone interact. energy: -3.807 local terms energy: -943.570280 where: bonds (distance) C4'-P energy: -168.662 bonds (distance) P-C4' energy: -178.008 flat angles C4'-P-C4' energy: -207.423 flat angles P-C4'-P energy: -131.312 tors. eta vs tors. theta energy: -258.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -3044.232307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.232307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.232307 (E_RNA) where: Base-Base interactions energy: -2125.175 where: short stacking energy: -897.776 Base-Backbone interact. energy: -6.564 local terms energy: -912.493551 where: bonds (distance) C4'-P energy: -170.914 bonds (distance) P-C4' energy: -165.700 flat angles C4'-P-C4' energy: -207.167 flat angles P-C4'-P energy: -132.743 tors. eta vs tors. theta energy: -235.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -2916.343219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.343219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.343219 (E_RNA) where: Base-Base interactions energy: -2027.188 where: short stacking energy: -849.781 Base-Backbone interact. energy: 1.269 local terms energy: -890.423429 where: bonds (distance) C4'-P energy: -170.224 bonds (distance) P-C4' energy: -178.983 flat angles C4'-P-C4' energy: -176.029 flat angles P-C4'-P energy: -110.473 tors. eta vs tors. theta energy: -254.715 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: 4, replica: 10 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -2780.566858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.566858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.566858 (E_RNA) where: Base-Base interactions energy: -1930.052 where: short stacking energy: -801.232 Base-Backbone interact. energy: -3.032 local terms energy: -847.482705 where: bonds (distance) C4'-P energy: -176.138 bonds (distance) P-C4' energy: -168.060 flat angles C4'-P-C4' energy: -184.421 flat angles P-C4'-P energy: -118.448 tors. eta vs tors. theta energy: -200.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -2689.116320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2689.116320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2689.116320 (E_RNA) where: Base-Base interactions energy: -1864.282 where: short stacking energy: -814.182 Base-Backbone interact. energy: -0.131 local terms energy: -824.703189 where: bonds (distance) C4'-P energy: -147.940 bonds (distance) P-C4' energy: -146.546 flat angles C4'-P-C4' energy: -184.565 flat angles P-C4'-P energy: -125.139 tors. eta vs tors. theta energy: -220.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -2493.254608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.254608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.254608 (E_RNA) where: Base-Base interactions energy: -1710.804 where: short stacking energy: -718.932 Base-Backbone interact. energy: -2.654 local terms energy: -779.796568 where: bonds (distance) C4'-P energy: -132.117 bonds (distance) P-C4' energy: -170.672 flat angles C4'-P-C4' energy: -167.451 flat angles P-C4'-P energy: -121.079 tors. eta vs tors. theta energy: -188.478 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: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -2199.692253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.692253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.692253 (E_RNA) where: Base-Base interactions energy: -1471.786 where: short stacking energy: -627.059 Base-Backbone interact. energy: -1.824 local terms energy: -726.082211 where: bonds (distance) C4'-P energy: -160.801 bonds (distance) P-C4' energy: -131.889 flat angles C4'-P-C4' energy: -180.573 flat angles P-C4'-P energy: -102.990 tors. eta vs tors. theta energy: -149.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -1948.400954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.400954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.400954 (E_RNA) where: Base-Base interactions energy: -1316.264 where: short stacking energy: -578.771 Base-Backbone interact. energy: 4.524 local terms energy: -636.661630 where: bonds (distance) C4'-P energy: -148.040 bonds (distance) P-C4' energy: -139.087 flat angles C4'-P-C4' energy: -151.754 flat angles P-C4'-P energy: -91.041 tors. eta vs tors. theta energy: -106.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -1701.021395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.021395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.021395 (E_RNA) where: Base-Base interactions energy: -1123.372 where: short stacking energy: -487.852 Base-Backbone interact. energy: 2.050 local terms energy: -579.700211 where: bonds (distance) C4'-P energy: -122.732 bonds (distance) P-C4' energy: -156.970 flat angles C4'-P-C4' energy: -135.637 flat angles P-C4'-P energy: -77.978 tors. eta vs tors. theta energy: -86.382 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: 5 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -1224.472280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.472280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.472280 (E_RNA) where: Base-Base interactions energy: -704.498 where: short stacking energy: -369.602 Base-Backbone interact. energy: -1.641 local terms energy: -518.333712 where: bonds (distance) C4'-P energy: -143.655 bonds (distance) P-C4' energy: -133.962 flat angles C4'-P-C4' energy: -130.039 flat angles P-C4'-P energy: -74.025 tors. eta vs tors. theta energy: -36.653 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: 7 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -3211.860116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.860116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.860116 (E_RNA) where: Base-Base interactions energy: -2258.072 where: short stacking energy: -931.563 Base-Backbone interact. energy: -3.187 local terms energy: -950.600800 where: bonds (distance) C4'-P energy: -186.298 bonds (distance) P-C4' energy: -169.517 flat angles C4'-P-C4' energy: -204.261 flat angles P-C4'-P energy: -130.836 tors. eta vs tors. theta energy: -259.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -3064.309520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.309520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.309520 (E_RNA) where: Base-Base interactions energy: -2129.416 where: short stacking energy: -914.164 Base-Backbone interact. energy: -4.782 local terms energy: -930.111131 where: bonds (distance) C4'-P energy: -171.643 bonds (distance) P-C4' energy: -179.296 flat angles C4'-P-C4' energy: -195.563 flat angles P-C4'-P energy: -137.256 tors. eta vs tors. theta energy: -246.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -2913.666381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.666381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.666381 (E_RNA) where: Base-Base interactions energy: -1984.209 where: short stacking energy: -847.384 Base-Backbone interact. energy: 1.382 local terms energy: -930.839174 where: bonds (distance) C4'-P energy: -161.951 bonds (distance) P-C4' energy: -195.943 flat angles C4'-P-C4' energy: -194.041 flat angles P-C4'-P energy: -137.008 tors. eta vs tors. theta energy: -241.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -2826.925761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.925761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.925761 (E_RNA) where: Base-Base interactions energy: -1962.248 where: short stacking energy: -843.634 Base-Backbone interact. energy: -2.148 local terms energy: -862.530249 where: bonds (distance) C4'-P energy: -141.985 bonds (distance) P-C4' energy: -183.879 flat angles C4'-P-C4' energy: -167.767 flat angles P-C4'-P energy: -138.243 tors. eta vs tors. theta energy: -230.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -2691.010472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.010472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.010472 (E_RNA) where: Base-Base interactions energy: -1842.115 where: short stacking energy: -749.659 Base-Backbone interact. energy: -2.283 local terms energy: -846.612208 where: bonds (distance) C4'-P energy: -165.960 bonds (distance) P-C4' energy: -162.421 flat angles C4'-P-C4' energy: -198.828 flat angles P-C4'-P energy: -106.912 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: 6, replica: 1 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -2568.880120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2568.880120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2568.880120 (E_RNA) where: Base-Base interactions energy: -1770.674 where: short stacking energy: -789.346 Base-Backbone interact. energy: -5.171 local terms energy: -793.035306 where: bonds (distance) C4'-P energy: -145.191 bonds (distance) P-C4' energy: -138.533 flat angles C4'-P-C4' energy: -179.537 flat angles P-C4'-P energy: -113.965 tors. eta vs tors. theta energy: -215.809 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: 185 Temperature: 1.200000 Total energy: -2190.790294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2190.790294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2190.790294 (E_RNA) where: Base-Base interactions energy: -1474.093 where: short stacking energy: -650.829 Base-Backbone interact. energy: -4.671 local terms energy: -712.025793 where: bonds (distance) C4'-P energy: -150.834 bonds (distance) P-C4' energy: -151.710 flat angles C4'-P-C4' energy: -151.004 flat angles P-C4'-P energy: -98.625 tors. eta vs tors. theta energy: -159.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1975.767608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1975.767608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1975.767608 (E_RNA) where: Base-Base interactions energy: -1332.394 where: short stacking energy: -597.521 Base-Backbone interact. energy: 2.589 local terms energy: -645.963189 where: bonds (distance) C4'-P energy: -129.887 bonds (distance) P-C4' energy: -140.593 flat angles C4'-P-C4' energy: -170.760 flat angles P-C4'-P energy: -74.989 tors. eta vs tors. theta energy: -129.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -1669.957339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.957339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.957339 (E_RNA) where: Base-Base interactions energy: -1067.519 where: short stacking energy: -495.465 Base-Backbone interact. energy: 5.241 local terms energy: -607.679966 where: bonds (distance) C4'-P energy: -128.996 bonds (distance) P-C4' energy: -154.808 flat angles C4'-P-C4' energy: -157.197 flat angles P-C4'-P energy: -93.888 tors. eta vs tors. theta energy: -72.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -1235.590807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.590807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.590807 (E_RNA) where: Base-Base interactions energy: -679.501 where: short stacking energy: -362.322 Base-Backbone interact. energy: 1.776 local terms energy: -557.866048 where: bonds (distance) C4'-P energy: -147.111 bonds (distance) P-C4' energy: -149.158 flat angles C4'-P-C4' energy: -128.032 flat angles P-C4'-P energy: -87.606 tors. eta vs tors. theta energy: -45.959 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: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -3215.463874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.463874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.463874 (E_RNA) where: Base-Base interactions energy: -2253.355 where: short stacking energy: -930.134 Base-Backbone interact. energy: -6.783 local terms energy: -955.325959 where: bonds (distance) C4'-P energy: -158.515 bonds (distance) P-C4' energy: -179.205 flat angles C4'-P-C4' energy: -214.927 flat angles P-C4'-P energy: -141.284 tors. eta vs tors. theta energy: -261.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -3023.031006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.031006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.031006 (E_RNA) where: Base-Base interactions energy: -2132.498 where: short stacking energy: -878.521 Base-Backbone interact. energy: -5.081 local terms energy: -885.452118 where: bonds (distance) C4'-P energy: -150.930 bonds (distance) P-C4' energy: -173.781 flat angles C4'-P-C4' energy: -195.793 flat angles P-C4'-P energy: -122.836 tors. eta vs tors. theta energy: -242.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -2900.397857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.397857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.397857 (E_RNA) where: Base-Base interactions energy: -2004.702 where: short stacking energy: -857.064 Base-Backbone interact. energy: -4.432 local terms energy: -891.263922 where: bonds (distance) C4'-P energy: -151.038 bonds (distance) P-C4' energy: -167.965 flat angles C4'-P-C4' energy: -194.503 flat angles P-C4'-P energy: -129.732 tors. eta vs tors. theta energy: -248.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -2814.570982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.570982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.570982 (E_RNA) where: Base-Base interactions energy: -1951.194 where: short stacking energy: -821.204 Base-Backbone interact. energy: -5.098 local terms energy: -858.278821 where: bonds (distance) C4'-P energy: -163.117 bonds (distance) P-C4' energy: -173.174 flat angles C4'-P-C4' energy: -175.739 flat angles P-C4'-P energy: -123.104 tors. eta vs tors. theta energy: -223.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -2673.843383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.843383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.843383 (E_RNA) where: Base-Base interactions energy: -1821.666 where: short stacking energy: -765.012 Base-Backbone interact. energy: -3.568 local terms energy: -848.609751 where: bonds (distance) C4'-P energy: -170.524 bonds (distance) P-C4' energy: -168.542 flat angles C4'-P-C4' energy: -190.985 flat angles P-C4'-P energy: -115.968 tors. eta vs tors. theta energy: -202.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -2548.762904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.762904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.762904 (E_RNA) where: Base-Base interactions energy: -1745.939 where: short stacking energy: -784.292 Base-Backbone interact. energy: -0.546 local terms energy: -802.277831 where: bonds (distance) C4'-P energy: -150.512 bonds (distance) P-C4' energy: -165.716 flat angles C4'-P-C4' energy: -178.600 flat angles P-C4'-P energy: -105.108 tors. eta vs tors. theta energy: -202.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -2210.864516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.864516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.864516 (E_RNA) where: Base-Base interactions energy: -1478.489 where: short stacking energy: -624.724 Base-Backbone interact. energy: -2.130 local terms energy: -730.246062 where: bonds (distance) C4'-P energy: -156.229 bonds (distance) P-C4' energy: -164.606 flat angles C4'-P-C4' energy: -155.894 flat angles P-C4'-P energy: -90.330 tors. eta vs tors. theta energy: -163.187 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: 9 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1830.596875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.596875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.596875 (E_RNA) where: Base-Base interactions energy: -1236.666 where: short stacking energy: -539.061 Base-Backbone interact. energy: -2.232 local terms energy: -591.698147 where: bonds (distance) C4'-P energy: -127.506 bonds (distance) P-C4' energy: -134.522 flat angles C4'-P-C4' energy: -141.076 flat angles P-C4'-P energy: -91.810 tors. eta vs tors. theta energy: -96.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -1686.844123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.844123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.844123 (E_RNA) where: Base-Base interactions energy: -1066.377 where: short stacking energy: -498.463 Base-Backbone interact. energy: 0.951 local terms energy: -621.417692 where: bonds (distance) C4'-P energy: -133.133 bonds (distance) P-C4' energy: -154.741 flat angles C4'-P-C4' energy: -167.143 flat angles P-C4'-P energy: -89.555 tors. eta vs tors. theta energy: -76.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -1256.026763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.026763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.026763 (E_RNA) where: Base-Base interactions energy: -745.380 where: short stacking energy: -375.101 Base-Backbone interact. energy: 2.744 local terms energy: -513.390061 where: bonds (distance) C4'-P energy: -133.226 bonds (distance) P-C4' energy: -145.759 flat angles C4'-P-C4' energy: -146.689 flat angles P-C4'-P energy: -57.074 tors. eta vs tors. theta energy: -30.643 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: 1, replica: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -3223.525104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.525104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.525104 (E_RNA) where: Base-Base interactions energy: -2232.711 where: short stacking energy: -938.519 Base-Backbone interact. energy: -2.705 local terms energy: -988.108398 where: bonds (distance) C4'-P energy: -176.244 bonds (distance) P-C4' energy: -194.388 flat angles C4'-P-C4' energy: -209.469 flat angles P-C4'-P energy: -138.907 tors. eta vs tors. theta energy: -269.100 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: 8 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -3083.200988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.200988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.200988 (E_RNA) where: Base-Base interactions energy: -2146.510 where: short stacking energy: -878.884 Base-Backbone interact. energy: -0.366 local terms energy: -936.324851 where: bonds (distance) C4'-P energy: -192.683 bonds (distance) P-C4' energy: -176.816 flat angles C4'-P-C4' energy: -201.331 flat angles P-C4'-P energy: -124.107 tors. eta vs tors. theta energy: -241.389 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: 4 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -2917.459875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.459875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.459875 (E_RNA) where: Base-Base interactions energy: -1985.115 where: short stacking energy: -813.906 Base-Backbone interact. energy: -3.826 local terms energy: -928.518148 where: bonds (distance) C4'-P energy: -172.278 bonds (distance) P-C4' energy: -187.585 flat angles C4'-P-C4' energy: -204.294 flat angles P-C4'-P energy: -131.768 tors. eta vs tors. theta energy: -232.594 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: 2 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -2776.354123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.354123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.354123 (E_RNA) where: Base-Base interactions energy: -1927.199 where: short stacking energy: -837.982 Base-Backbone interact. energy: -3.616 local terms energy: -845.539142 where: bonds (distance) C4'-P energy: -167.355 bonds (distance) P-C4' energy: -161.792 flat angles C4'-P-C4' energy: -184.408 flat angles P-C4'-P energy: -101.604 tors. eta vs tors. theta energy: -230.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -2640.961929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.961929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.961929 (E_RNA) where: Base-Base interactions energy: -1804.047 where: short stacking energy: -774.954 Base-Backbone interact. energy: 2.979 local terms energy: -839.894268 where: bonds (distance) C4'-P energy: -159.977 bonds (distance) P-C4' energy: -158.412 flat angles C4'-P-C4' energy: -189.420 flat angles P-C4'-P energy: -115.805 tors. eta vs tors. theta energy: -216.280 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: 1 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -2598.576872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.576872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.576872 (E_RNA) where: Base-Base interactions energy: -1780.580 where: short stacking energy: -779.396 Base-Backbone interact. energy: -3.433 local terms energy: -814.563562 where: bonds (distance) C4'-P energy: -152.957 bonds (distance) P-C4' energy: -153.564 flat angles C4'-P-C4' energy: -176.285 flat angles P-C4'-P energy: -118.901 tors. eta vs tors. theta energy: -212.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -2263.291563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.291563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.291563 (E_RNA) where: Base-Base interactions energy: -1525.049 where: short stacking energy: -689.712 Base-Backbone interact. energy: -0.792 local terms energy: -737.450086 where: bonds (distance) C4'-P energy: -136.999 bonds (distance) P-C4' energy: -135.441 flat angles C4'-P-C4' energy: -171.728 flat angles P-C4'-P energy: -108.090 tors. eta vs tors. theta energy: -185.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1882.504701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.504701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.504701 (E_RNA) where: Base-Base interactions energy: -1266.750 where: short stacking energy: -573.744 Base-Backbone interact. energy: 3.910 local terms energy: -619.664779 where: bonds (distance) C4'-P energy: -127.499 bonds (distance) P-C4' energy: -159.608 flat angles C4'-P-C4' energy: -143.175 flat angles P-C4'-P energy: -89.332 tors. eta vs tors. theta energy: -100.051 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: 3 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -1709.614746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.614746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.614746 (E_RNA) where: Base-Base interactions energy: -1104.704 where: short stacking energy: -512.996 Base-Backbone interact. energy: 1.525 local terms energy: -606.435927 where: bonds (distance) C4'-P energy: -143.560 bonds (distance) P-C4' energy: -146.638 flat angles C4'-P-C4' energy: -150.042 flat angles P-C4'-P energy: -75.717 tors. eta vs tors. theta energy: -90.479 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: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -1228.359556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.359556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.359556 (E_RNA) where: Base-Base interactions energy: -670.038 where: short stacking energy: -318.012 Base-Backbone interact. energy: 0.312 local terms energy: -558.634450 where: bonds (distance) C4'-P energy: -138.870 bonds (distance) P-C4' energy: -150.431 flat angles C4'-P-C4' energy: -143.258 flat angles P-C4'-P energy: -83.122 tors. eta vs tors. theta energy: -42.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -3198.667815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.667815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.667815 (E_RNA) where: Base-Base interactions energy: -2241.094 where: short stacking energy: -949.009 Base-Backbone interact. energy: -1.722 local terms energy: -955.851972 where: bonds (distance) C4'-P energy: -182.544 bonds (distance) P-C4' energy: -169.905 flat angles C4'-P-C4' energy: -195.715 flat angles P-C4'-P energy: -137.696 tors. eta vs tors. theta energy: -269.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -3050.824290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.824290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.824290 (E_RNA) where: Base-Base interactions energy: -2124.006 where: short stacking energy: -884.035 Base-Backbone interact. energy: -5.523 local terms energy: -921.294994 where: bonds (distance) C4'-P energy: -164.184 bonds (distance) P-C4' energy: -177.246 flat angles C4'-P-C4' energy: -198.481 flat angles P-C4'-P energy: -137.372 tors. eta vs tors. theta energy: -244.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -2934.838007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.838007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.838007 (E_RNA) where: Base-Base interactions energy: -2026.559 where: short stacking energy: -816.477 Base-Backbone interact. energy: -5.235 local terms energy: -903.044431 where: bonds (distance) C4'-P energy: -155.621 bonds (distance) P-C4' energy: -181.673 flat angles C4'-P-C4' energy: -193.838 flat angles P-C4'-P energy: -138.808 tors. eta vs tors. theta energy: -233.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -2840.205763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2840.205763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2840.205763 (E_RNA) where: Base-Base interactions energy: -1953.939 where: short stacking energy: -854.164 Base-Backbone interact. energy: -2.708 local terms energy: -883.558003 where: bonds (distance) C4'-P energy: -171.567 bonds (distance) P-C4' energy: -168.113 flat angles C4'-P-C4' energy: -184.001 flat angles P-C4'-P energy: -127.635 tors. eta vs tors. theta energy: -232.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -2708.075431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.075431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.075431 (E_RNA) where: Base-Base interactions energy: -1871.678 where: short stacking energy: -764.103 Base-Backbone interact. energy: -1.577 local terms energy: -834.820473 where: bonds (distance) C4'-P energy: -173.042 bonds (distance) P-C4' energy: -174.308 flat angles C4'-P-C4' energy: -191.785 flat angles P-C4'-P energy: -93.404 tors. eta vs tors. theta energy: -202.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -2504.157714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.157714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.157714 (E_RNA) where: Base-Base interactions energy: -1722.274 where: short stacking energy: -767.360 Base-Backbone interact. energy: -2.810 local terms energy: -779.074242 where: bonds (distance) C4'-P energy: -140.688 bonds (distance) P-C4' energy: -146.345 flat angles C4'-P-C4' energy: -165.177 flat angles P-C4'-P energy: -98.173 tors. eta vs tors. theta energy: -228.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -2249.949475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.949475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.949475 (E_RNA) where: Base-Base interactions energy: -1538.087 where: short stacking energy: -677.261 Base-Backbone interact. energy: -0.301 local terms energy: -711.560793 where: bonds (distance) C4'-P energy: -137.287 bonds (distance) P-C4' energy: -158.865 flat angles C4'-P-C4' energy: -143.015 flat angles P-C4'-P energy: -105.445 tors. eta vs tors. theta energy: -166.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1861.673774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.673774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.673774 (E_RNA) where: Base-Base interactions energy: -1249.047 where: short stacking energy: -550.898 Base-Backbone interact. energy: -4.056 local terms energy: -608.570763 where: bonds (distance) C4'-P energy: -123.173 bonds (distance) P-C4' energy: -166.191 flat angles C4'-P-C4' energy: -144.371 flat angles P-C4'-P energy: -82.241 tors. eta vs tors. theta energy: -92.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -1736.620418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.620418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.620418 (E_RNA) where: Base-Base interactions energy: -1109.075 where: short stacking energy: -517.483 Base-Backbone interact. energy: -5.718 local terms energy: -621.826496 where: bonds (distance) C4'-P energy: -146.902 bonds (distance) P-C4' energy: -144.930 flat angles C4'-P-C4' energy: -166.206 flat angles P-C4'-P energy: -71.360 tors. eta vs tors. theta energy: -92.429 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: 5 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -1199.066844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.066844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.066844 (E_RNA) where: Base-Base interactions energy: -702.638 where: short stacking energy: -367.109 Base-Backbone interact. energy: -3.608 local terms energy: -492.820570 where: bonds (distance) C4'-P energy: -115.778 bonds (distance) P-C4' energy: -142.618 flat angles C4'-P-C4' energy: -129.745 flat angles P-C4'-P energy: -72.692 tors. eta vs tors. theta energy: -31.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -3216.767660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.767660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.767660 (E_RNA) where: Base-Base interactions energy: -2255.461 where: short stacking energy: -925.398 Base-Backbone interact. energy: 0.684 local terms energy: -961.990145 where: bonds (distance) C4'-P energy: -181.108 bonds (distance) P-C4' energy: -172.389 flat angles C4'-P-C4' energy: -202.281 flat angles P-C4'-P energy: -142.296 tors. eta vs tors. theta energy: -263.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -3083.709986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.709986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.709986 (E_RNA) where: Base-Base interactions energy: -2142.544 where: short stacking energy: -893.618 Base-Backbone interact. energy: -5.552 local terms energy: -935.613751 where: bonds (distance) C4'-P energy: -167.818 bonds (distance) P-C4' energy: -178.037 flat angles C4'-P-C4' energy: -195.064 flat angles P-C4'-P energy: -140.513 tors. eta vs tors. theta energy: -254.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -2932.492247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.492247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.492247 (E_RNA) where: Base-Base interactions energy: -2018.450 where: short stacking energy: -834.949 Base-Backbone interact. energy: -1.890 local terms energy: -912.152323 where: bonds (distance) C4'-P energy: -177.330 bonds (distance) P-C4' energy: -179.171 flat angles C4'-P-C4' energy: -188.082 flat angles P-C4'-P energy: -124.526 tors. eta vs tors. theta energy: -243.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -2857.451615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.451615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.451615 (E_RNA) where: Base-Base interactions energy: -1953.054 where: short stacking energy: -851.121 Base-Backbone interact. energy: -2.920 local terms energy: -901.477603 where: bonds (distance) C4'-P energy: -160.109 bonds (distance) P-C4' energy: -157.950 flat angles C4'-P-C4' energy: -194.839 flat angles P-C4'-P energy: -135.157 tors. eta vs tors. theta energy: -253.423 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: 10 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -2693.410486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.410486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.410486 (E_RNA) where: Base-Base interactions energy: -1881.057 where: short stacking energy: -809.465 Base-Backbone interact. energy: -2.667 local terms energy: -809.686251 where: bonds (distance) C4'-P energy: -145.523 bonds (distance) P-C4' energy: -161.531 flat angles C4'-P-C4' energy: -181.485 flat angles P-C4'-P energy: -111.481 tors. eta vs tors. theta energy: -209.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -2512.576037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.576037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.576037 (E_RNA) where: Base-Base interactions energy: -1687.577 where: short stacking energy: -744.110 Base-Backbone interact. energy: -1.857 local terms energy: -823.141965 where: bonds (distance) C4'-P energy: -153.066 bonds (distance) P-C4' energy: -161.317 flat angles C4'-P-C4' energy: -195.776 flat angles P-C4'-P energy: -102.468 tors. eta vs tors. theta energy: -210.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -2325.124380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.124380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.124380 (E_RNA) where: Base-Base interactions energy: -1548.682 where: short stacking energy: -657.694 Base-Backbone interact. energy: 1.982 local terms energy: -778.424337 where: bonds (distance) C4'-P energy: -164.753 bonds (distance) P-C4' energy: -159.229 flat angles C4'-P-C4' energy: -177.610 flat angles P-C4'-P energy: -116.416 tors. eta vs tors. theta energy: -160.416 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: 9 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1902.850817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.850817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.850817 (E_RNA) where: Base-Base interactions energy: -1227.272 where: short stacking energy: -542.300 Base-Backbone interact. energy: -0.960 local terms energy: -674.618960 where: bonds (distance) C4'-P energy: -149.252 bonds (distance) P-C4' energy: -166.427 flat angles C4'-P-C4' energy: -149.800 flat angles P-C4'-P energy: -99.074 tors. eta vs tors. theta energy: -110.066 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: 3 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -1678.044549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.044549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.044549 (E_RNA) where: Base-Base interactions energy: -1062.606 where: short stacking energy: -484.803 Base-Backbone interact. energy: -0.124 local terms energy: -615.314023 where: bonds (distance) C4'-P energy: -132.384 bonds (distance) P-C4' energy: -170.864 flat angles C4'-P-C4' energy: -148.966 flat angles P-C4'-P energy: -63.621 tors. eta vs tors. theta energy: -99.479 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: 5 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -1180.207097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.207097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.207097 (E_RNA) where: Base-Base interactions energy: -654.483 where: short stacking energy: -348.918 Base-Backbone interact. energy: 3.483 local terms energy: -529.206552 where: bonds (distance) C4'-P energy: -153.040 bonds (distance) P-C4' energy: -114.829 flat angles C4'-P-C4' energy: -152.425 flat angles P-C4'-P energy: -76.884 tors. eta vs tors. theta energy: -32.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -3243.866310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3243.866310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3243.866310 (E_RNA) where: Base-Base interactions energy: -2282.195 where: short stacking energy: -948.420 Base-Backbone interact. energy: -3.764 local terms energy: -957.907641 where: bonds (distance) C4'-P energy: -179.471 bonds (distance) P-C4' energy: -176.396 flat angles C4'-P-C4' energy: -192.885 flat angles P-C4'-P energy: -137.390 tors. eta vs tors. theta energy: -271.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -3065.032598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3065.032598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3065.032598 (E_RNA) where: Base-Base interactions energy: -2156.296 where: short stacking energy: -899.148 Base-Backbone interact. energy: 1.419 local terms energy: -910.155088 where: bonds (distance) C4'-P energy: -169.258 bonds (distance) P-C4' energy: -172.078 flat angles C4'-P-C4' energy: -190.895 flat angles P-C4'-P energy: -132.303 tors. eta vs tors. theta energy: -245.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -2942.195222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2942.195222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2942.195222 (E_RNA) where: Base-Base interactions energy: -2048.074 where: short stacking energy: -873.233 Base-Backbone interact. energy: -2.450 local terms energy: -891.671226 where: bonds (distance) C4'-P energy: -160.037 bonds (distance) P-C4' energy: -163.571 flat angles C4'-P-C4' energy: -196.368 flat angles P-C4'-P energy: -119.940 tors. eta vs tors. theta energy: -251.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -2864.160610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.160610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.160610 (E_RNA) where: Base-Base interactions energy: -1997.129 where: short stacking energy: -840.809 Base-Backbone interact. energy: -2.464 local terms energy: -864.566999 where: bonds (distance) C4'-P energy: -140.876 bonds (distance) P-C4' energy: -174.441 flat angles C4'-P-C4' energy: -183.656 flat angles P-C4'-P energy: -126.050 tors. eta vs tors. theta energy: -239.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -2671.069808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.069808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.069808 (E_RNA) where: Base-Base interactions energy: -1852.138 where: short stacking energy: -771.591 Base-Backbone interact. energy: -2.439 local terms energy: -816.492710 where: bonds (distance) C4'-P energy: -151.866 bonds (distance) P-C4' energy: -152.253 flat angles C4'-P-C4' energy: -188.008 flat angles P-C4'-P energy: -124.092 tors. eta vs tors. theta energy: -200.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -2528.972686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.972686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.972686 (E_RNA) where: Base-Base interactions energy: -1738.176 where: short stacking energy: -774.967 Base-Backbone interact. energy: 5.089 local terms energy: -795.886312 where: bonds (distance) C4'-P energy: -151.708 bonds (distance) P-C4' energy: -140.138 flat angles C4'-P-C4' energy: -182.108 flat angles P-C4'-P energy: -111.425 tors. eta vs tors. theta energy: -210.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -2315.202302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2315.202302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2315.202302 (E_RNA) where: Base-Base interactions energy: -1563.914 where: short stacking energy: -692.327 Base-Backbone interact. energy: 2.712 local terms energy: -753.999960 where: bonds (distance) C4'-P energy: -150.206 bonds (distance) P-C4' energy: -139.159 flat angles C4'-P-C4' energy: -172.743 flat angles P-C4'-P energy: -109.868 tors. eta vs tors. theta energy: -182.025 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: 9 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1966.384819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1966.384819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1966.384819 (E_RNA) where: Base-Base interactions energy: -1326.074 where: short stacking energy: -553.481 Base-Backbone interact. energy: -0.733 local terms energy: -639.578141 where: bonds (distance) C4'-P energy: -145.959 bonds (distance) P-C4' energy: -127.339 flat angles C4'-P-C4' energy: -167.597 flat angles P-C4'-P energy: -99.529 tors. eta vs tors. theta energy: -99.154 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: 3 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -1720.501481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.501481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.501481 (E_RNA) where: Base-Base interactions energy: -1113.739 where: short stacking energy: -535.490 Base-Backbone interact. energy: -2.396 local terms energy: -604.366428 where: bonds (distance) C4'-P energy: -136.905 bonds (distance) P-C4' energy: -138.245 flat angles C4'-P-C4' energy: -126.631 flat angles P-C4'-P energy: -77.655 tors. eta vs tors. theta energy: -124.932 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: 10, replica: 5 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -1145.698042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.698042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.698042 (E_RNA) where: Base-Base interactions energy: -663.727 where: short stacking energy: -351.024 Base-Backbone interact. energy: 0.526 local terms energy: -482.497455 where: bonds (distance) C4'-P energy: -114.422 bonds (distance) P-C4' energy: -146.488 flat angles C4'-P-C4' energy: -118.547 flat angles P-C4'-P energy: -92.113 tors. eta vs tors. theta energy: -10.927 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: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -3239.605038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.605038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.605038 (E_RNA) where: Base-Base interactions energy: -2266.989 where: short stacking energy: -934.843 Base-Backbone interact. energy: -4.844 local terms energy: -967.771686 where: bonds (distance) C4'-P energy: -171.223 bonds (distance) P-C4' energy: -164.687 flat angles C4'-P-C4' energy: -214.425 flat angles P-C4'-P energy: -142.989 tors. eta vs tors. theta energy: -274.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -3010.215332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.215332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.215332 (E_RNA) where: Base-Base interactions energy: -2064.068 where: short stacking energy: -893.380 Base-Backbone interact. energy: -0.176 local terms energy: -945.971156 where: bonds (distance) C4'-P energy: -174.833 bonds (distance) P-C4' energy: -187.055 flat angles C4'-P-C4' energy: -204.247 flat angles P-C4'-P energy: -130.181 tors. eta vs tors. theta energy: -249.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -2945.333846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.333846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.333846 (E_RNA) where: Base-Base interactions energy: -2083.206 where: short stacking energy: -903.424 Base-Backbone interact. energy: 1.412 local terms energy: -863.539874 where: bonds (distance) C4'-P energy: -165.110 bonds (distance) P-C4' energy: -164.021 flat angles C4'-P-C4' energy: -178.270 flat angles P-C4'-P energy: -117.092 tors. eta vs tors. theta energy: -239.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -2874.879662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.879662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.879662 (E_RNA) where: Base-Base interactions energy: -1982.324 where: short stacking energy: -856.340 Base-Backbone interact. energy: -1.054 local terms energy: -891.501463 where: bonds (distance) C4'-P energy: -156.737 bonds (distance) P-C4' energy: -169.836 flat angles C4'-P-C4' energy: -198.693 flat angles P-C4'-P energy: -138.039 tors. eta vs tors. theta energy: -228.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -2657.225411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2657.225411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2657.225411 (E_RNA) where: Base-Base interactions energy: -1848.547 where: short stacking energy: -774.230 Base-Backbone interact. energy: -2.053 local terms energy: -806.625609 where: bonds (distance) C4'-P energy: -150.708 bonds (distance) P-C4' energy: -147.830 flat angles C4'-P-C4' energy: -184.512 flat angles P-C4'-P energy: -113.318 tors. eta vs tors. theta energy: -210.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -2424.588153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.588153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.588153 (E_RNA) where: Base-Base interactions energy: -1632.216 where: short stacking energy: -710.205 Base-Backbone interact. energy: -1.461 local terms energy: -790.911703 where: bonds (distance) C4'-P energy: -164.183 bonds (distance) P-C4' energy: -145.320 flat angles C4'-P-C4' energy: -172.585 flat angles P-C4'-P energy: -130.165 tors. eta vs tors. theta energy: -178.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -2409.457905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.457905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.457905 (E_RNA) where: Base-Base interactions energy: -1650.190 where: short stacking energy: -733.976 Base-Backbone interact. energy: 2.769 local terms energy: -762.037242 where: bonds (distance) C4'-P energy: -163.944 bonds (distance) P-C4' energy: -136.576 flat angles C4'-P-C4' energy: -160.771 flat angles P-C4'-P energy: -104.048 tors. eta vs tors. theta energy: -196.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -2027.078834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.078834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.078834 (E_RNA) where: Base-Base interactions energy: -1379.091 where: short stacking energy: -602.248 Base-Backbone interact. energy: 1.662 local terms energy: -649.650380 where: bonds (distance) C4'-P energy: -122.002 bonds (distance) P-C4' energy: -154.030 flat angles C4'-P-C4' energy: -152.964 flat angles P-C4'-P energy: -106.190 tors. eta vs tors. theta energy: -114.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -1764.248181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.248181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.248181 (E_RNA) where: Base-Base interactions energy: -1194.815 where: short stacking energy: -520.775 Base-Backbone interact. energy: -1.898 local terms energy: -567.534849 where: bonds (distance) C4'-P energy: -117.348 bonds (distance) P-C4' energy: -129.619 flat angles C4'-P-C4' energy: -130.353 flat angles P-C4'-P energy: -79.101 tors. eta vs tors. theta energy: -111.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -1141.842629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.842629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.842629 (E_RNA) where: Base-Base interactions energy: -678.298 where: short stacking energy: -365.119 Base-Backbone interact. energy: 2.270 local terms energy: -465.814821 where: bonds (distance) C4'-P energy: -118.879 bonds (distance) P-C4' energy: -125.419 flat angles C4'-P-C4' energy: -132.912 flat angles P-C4'-P energy: -70.721 tors. eta vs tors. theta energy: -17.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -3204.342000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3204.342000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3204.342000 (E_RNA) where: Base-Base interactions energy: -2231.617 where: short stacking energy: -929.160 Base-Backbone interact. energy: -3.713 local terms energy: -969.012095 where: bonds (distance) C4'-P energy: -180.057 bonds (distance) P-C4' energy: -190.903 flat angles C4'-P-C4' energy: -197.930 flat angles P-C4'-P energy: -134.832 tors. eta vs tors. theta energy: -265.290 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: 4 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -2985.304994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.304994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.304994 (E_RNA) where: Base-Base interactions energy: -2067.092 where: short stacking energy: -854.371 Base-Backbone interact. energy: 0.313 local terms energy: -918.525903 where: bonds (distance) C4'-P energy: -176.258 bonds (distance) P-C4' energy: -169.823 flat angles C4'-P-C4' energy: -204.809 flat angles P-C4'-P energy: -119.692 tors. eta vs tors. theta energy: -247.944 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: 2 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -2950.815228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.815228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.815228 (E_RNA) where: Base-Base interactions energy: -2047.006 where: short stacking energy: -854.754 Base-Backbone interact. energy: -1.238 local terms energy: -902.571515 where: bonds (distance) C4'-P energy: -159.231 bonds (distance) P-C4' energy: -168.579 flat angles C4'-P-C4' energy: -184.863 flat angles P-C4'-P energy: -146.241 tors. eta vs tors. theta energy: -243.658 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: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -2855.621361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.621361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.621361 (E_RNA) where: Base-Base interactions energy: -2007.474 where: short stacking energy: -831.156 Base-Backbone interact. energy: -1.199 local terms energy: -846.948176 where: bonds (distance) C4'-P energy: -156.126 bonds (distance) P-C4' energy: -166.325 flat angles C4'-P-C4' energy: -188.788 flat angles P-C4'-P energy: -119.132 tors. eta vs tors. theta energy: -216.577 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: 10 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -2683.723403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.723403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.723403 (E_RNA) where: Base-Base interactions energy: -1846.097 where: short stacking energy: -797.163 Base-Backbone interact. energy: -2.223 local terms energy: -835.402926 where: bonds (distance) C4'-P energy: -176.795 bonds (distance) P-C4' energy: -154.101 flat angles C4'-P-C4' energy: -177.611 flat angles P-C4'-P energy: -111.876 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: 6, replica: 6 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -2520.893793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.893793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.893793 (E_RNA) where: Base-Base interactions energy: -1735.872 where: short stacking energy: -772.601 Base-Backbone interact. energy: -1.890 local terms energy: -783.132111 where: bonds (distance) C4'-P energy: -139.735 bonds (distance) P-C4' energy: -145.210 flat angles C4'-P-C4' energy: -175.050 flat angles P-C4'-P energy: -116.318 tors. eta vs tors. theta energy: -206.818 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: 7, replica: 1 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -2409.031453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.031453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.031453 (E_RNA) where: Base-Base interactions energy: -1638.276 where: short stacking energy: -712.957 Base-Backbone interact. energy: -1.658 local terms energy: -769.097686 where: bonds (distance) C4'-P energy: -167.302 bonds (distance) P-C4' energy: -151.599 flat angles C4'-P-C4' energy: -154.714 flat angles P-C4'-P energy: -107.471 tors. eta vs tors. theta energy: -188.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -2017.387222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.387222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.387222 (E_RNA) where: Base-Base interactions energy: -1339.367 where: short stacking energy: -577.202 Base-Backbone interact. energy: -3.846 local terms energy: -674.173844 where: bonds (distance) C4'-P energy: -146.867 bonds (distance) P-C4' energy: -160.795 flat angles C4'-P-C4' energy: -169.240 flat angles P-C4'-P energy: -74.425 tors. eta vs tors. theta energy: -122.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -1774.146303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.146303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.146303 (E_RNA) where: Base-Base interactions energy: -1126.358 where: short stacking energy: -522.020 Base-Backbone interact. energy: 5.913 local terms energy: -653.701976 where: bonds (distance) C4'-P energy: -149.499 bonds (distance) P-C4' energy: -160.703 flat angles C4'-P-C4' energy: -152.794 flat angles P-C4'-P energy: -78.020 tors. eta vs tors. theta energy: -112.686 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: 5 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -1219.245595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.245595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.245595 (E_RNA) where: Base-Base interactions energy: -714.252 where: short stacking energy: -366.245 Base-Backbone interact. energy: -0.847 local terms energy: -504.147023 where: bonds (distance) C4'-P energy: -131.643 bonds (distance) P-C4' energy: -145.536 flat angles C4'-P-C4' energy: -107.647 flat angles P-C4'-P energy: -88.263 tors. eta vs tors. theta energy: -31.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -3201.345970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.345970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.345970 (E_RNA) where: Base-Base interactions energy: -2218.325 where: short stacking energy: -906.940 Base-Backbone interact. energy: -4.572 local terms energy: -978.449373 where: bonds (distance) C4'-P energy: -182.800 bonds (distance) P-C4' energy: -179.993 flat angles C4'-P-C4' energy: -205.011 flat angles P-C4'-P energy: -143.650 tors. eta vs tors. theta energy: -266.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -3019.986955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.986955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.986955 (E_RNA) where: Base-Base interactions energy: -2088.537 where: short stacking energy: -880.965 Base-Backbone interact. energy: -0.664 local terms energy: -930.786186 where: bonds (distance) C4'-P energy: -164.444 bonds (distance) P-C4' energy: -182.414 flat angles C4'-P-C4' energy: -191.449 flat angles P-C4'-P energy: -137.523 tors. eta vs tors. theta energy: -254.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -3016.852746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.852746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.852746 (E_RNA) where: Base-Base interactions energy: -2129.742 where: short stacking energy: -899.871 Base-Backbone interact. energy: -0.057 local terms energy: -887.052995 where: bonds (distance) C4'-P energy: -150.549 bonds (distance) P-C4' energy: -154.322 flat angles C4'-P-C4' energy: -201.031 flat angles P-C4'-P energy: -124.257 tors. eta vs tors. theta energy: -256.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -2906.665924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.665924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.665924 (E_RNA) where: Base-Base interactions energy: -2027.674 where: short stacking energy: -838.043 Base-Backbone interact. energy: -2.043 local terms energy: -876.949061 where: bonds (distance) C4'-P energy: -155.683 bonds (distance) P-C4' energy: -183.828 flat angles C4'-P-C4' energy: -189.191 flat angles P-C4'-P energy: -122.318 tors. eta vs tors. theta energy: -225.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -2681.537087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.537087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.537087 (E_RNA) where: Base-Base interactions energy: -1900.986 where: short stacking energy: -791.577 Base-Backbone interact. energy: -3.469 local terms energy: -777.081937 where: bonds (distance) C4'-P energy: -143.998 bonds (distance) P-C4' energy: -153.504 flat angles C4'-P-C4' energy: -168.289 flat angles P-C4'-P energy: -110.891 tors. eta vs tors. theta energy: -200.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -2482.745694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.745694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.745694 (E_RNA) where: Base-Base interactions energy: -1709.615 where: short stacking energy: -761.080 Base-Backbone interact. energy: -2.615 local terms energy: -770.515289 where: bonds (distance) C4'-P energy: -141.403 bonds (distance) P-C4' energy: -144.211 flat angles C4'-P-C4' energy: -167.421 flat angles P-C4'-P energy: -105.016 tors. eta vs tors. theta energy: -212.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -2351.243444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2351.243444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2351.243444 (E_RNA) where: Base-Base interactions energy: -1598.482 where: short stacking energy: -705.537 Base-Backbone interact. energy: 1.550 local terms energy: -754.310611 where: bonds (distance) C4'-P energy: -144.649 bonds (distance) P-C4' energy: -154.872 flat angles C4'-P-C4' energy: -176.345 flat angles P-C4'-P energy: -90.626 tors. eta vs tors. theta energy: -187.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -2053.630679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.630679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.630679 (E_RNA) where: Base-Base interactions energy: -1366.416 where: short stacking energy: -565.333 Base-Backbone interact. energy: -4.562 local terms energy: -682.652489 where: bonds (distance) C4'-P energy: -144.117 bonds (distance) P-C4' energy: -155.450 flat angles C4'-P-C4' energy: -158.005 flat angles P-C4'-P energy: -101.873 tors. eta vs tors. theta energy: -123.208 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: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -1831.323274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.323274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.323274 (E_RNA) where: Base-Base interactions energy: -1151.227 where: short stacking energy: -524.168 Base-Backbone interact. energy: -1.755 local terms energy: -678.341373 where: bonds (distance) C4'-P energy: -137.202 bonds (distance) P-C4' energy: -141.624 flat angles C4'-P-C4' energy: -165.635 flat angles P-C4'-P energy: -103.204 tors. eta vs tors. theta energy: -130.678 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: 5 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -1168.215173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.215173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.215173 (E_RNA) where: Base-Base interactions energy: -671.204 where: short stacking energy: -361.120 Base-Backbone interact. energy: 3.824 local terms energy: -500.835581 where: bonds (distance) C4'-P energy: -135.558 bonds (distance) P-C4' energy: -145.979 flat angles C4'-P-C4' energy: -119.365 flat angles P-C4'-P energy: -76.807 tors. eta vs tors. theta energy: -23.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -3219.302514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.302514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.302514 (E_RNA) where: Base-Base interactions energy: -2249.355 where: short stacking energy: -937.118 Base-Backbone interact. energy: -4.154 local terms energy: -965.793876 where: bonds (distance) C4'-P energy: -174.269 bonds (distance) P-C4' energy: -186.846 flat angles C4'-P-C4' energy: -210.191 flat angles P-C4'-P energy: -130.217 tors. eta vs tors. theta energy: -264.271 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: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -3013.130170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.130170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.130170 (E_RNA) where: Base-Base interactions energy: -2064.112 where: short stacking energy: -883.167 Base-Backbone interact. energy: -1.346 local terms energy: -947.672153 where: bonds (distance) C4'-P energy: -162.860 bonds (distance) P-C4' energy: -168.627 flat angles C4'-P-C4' energy: -214.834 flat angles P-C4'-P energy: -146.669 tors. eta vs tors. theta energy: -254.682 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: 2 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -3042.611940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.611940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.611940 (E_RNA) where: Base-Base interactions energy: -2145.596 where: short stacking energy: -914.268 Base-Backbone interact. energy: -3.932 local terms energy: -893.083812 where: bonds (distance) C4'-P energy: -153.803 bonds (distance) P-C4' energy: -170.984 flat angles C4'-P-C4' energy: -188.712 flat angles P-C4'-P energy: -121.879 tors. eta vs tors. theta energy: -257.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -2861.932472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.932472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.932472 (E_RNA) where: Base-Base interactions energy: -1976.463 where: short stacking energy: -806.970 Base-Backbone interact. energy: -2.561 local terms energy: -882.908381 where: bonds (distance) C4'-P energy: -151.312 bonds (distance) P-C4' energy: -180.048 flat angles C4'-P-C4' energy: -189.952 flat angles P-C4'-P energy: -139.607 tors. eta vs tors. theta energy: -221.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -2699.773927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.773927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.773927 (E_RNA) where: Base-Base interactions energy: -1887.962 where: short stacking energy: -779.691 Base-Backbone interact. energy: -1.575 local terms energy: -810.236648 where: bonds (distance) C4'-P energy: -158.736 bonds (distance) P-C4' energy: -148.481 flat angles C4'-P-C4' energy: -183.663 flat angles P-C4'-P energy: -108.968 tors. eta vs tors. theta energy: -210.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -2507.480631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.480631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.480631 (E_RNA) where: Base-Base interactions energy: -1716.963 where: short stacking energy: -765.711 Base-Backbone interact. energy: -1.863 local terms energy: -788.654195 where: bonds (distance) C4'-P energy: -151.270 bonds (distance) P-C4' energy: -151.189 flat angles C4'-P-C4' energy: -172.365 flat angles P-C4'-P energy: -109.455 tors. eta vs tors. theta energy: -204.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -2278.023349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.023349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.023349 (E_RNA) where: Base-Base interactions energy: -1508.866 where: short stacking energy: -669.478 Base-Backbone interact. energy: -2.530 local terms energy: -766.626660 where: bonds (distance) C4'-P energy: -164.213 bonds (distance) P-C4' energy: -167.325 flat angles C4'-P-C4' energy: -156.563 flat angles P-C4'-P energy: -104.469 tors. eta vs tors. theta energy: -174.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -1978.118472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.118472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.118472 (E_RNA) where: Base-Base interactions energy: -1322.608 where: short stacking energy: -562.587 Base-Backbone interact. energy: 6.341 local terms energy: -661.852060 where: bonds (distance) C4'-P energy: -165.593 bonds (distance) P-C4' energy: -146.308 flat angles C4'-P-C4' energy: -153.690 flat angles P-C4'-P energy: -79.785 tors. eta vs tors. theta energy: -116.476 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: 3 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -1874.634135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.634135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.634135 (E_RNA) where: Base-Base interactions energy: -1236.285 where: short stacking energy: -557.114 Base-Backbone interact. energy: 4.890 local terms energy: -643.239135 where: bonds (distance) C4'-P energy: -132.664 bonds (distance) P-C4' energy: -143.560 flat angles C4'-P-C4' energy: -156.107 flat angles P-C4'-P energy: -91.210 tors. eta vs tors. theta energy: -119.697 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: 5 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -1154.767533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.767533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.767533 (E_RNA) where: Base-Base interactions energy: -622.668 where: short stacking energy: -317.862 Base-Backbone interact. energy: -2.823 local terms energy: -529.276126 where: bonds (distance) C4'-P energy: -129.327 bonds (distance) P-C4' energy: -160.377 flat angles C4'-P-C4' energy: -143.781 flat angles P-C4'-P energy: -67.876 tors. eta vs tors. theta energy: -27.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -3243.859041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3243.859041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3243.859041 (E_RNA) where: Base-Base interactions energy: -2275.957 where: short stacking energy: -963.541 Base-Backbone interact. energy: -1.722 local terms energy: -966.180998 where: bonds (distance) C4'-P energy: -167.329 bonds (distance) P-C4' energy: -186.105 flat angles C4'-P-C4' energy: -203.880 flat angles P-C4'-P energy: -136.788 tors. eta vs tors. theta energy: -272.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -3099.019550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.019550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.019550 (E_RNA) where: Base-Base interactions energy: -2144.271 where: short stacking energy: -912.491 Base-Backbone interact. energy: -3.458 local terms energy: -951.290557 where: bonds (distance) C4'-P energy: -179.660 bonds (distance) P-C4' energy: -160.689 flat angles C4'-P-C4' energy: -204.610 flat angles P-C4'-P energy: -134.605 tors. eta vs tors. theta energy: -271.727 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: 4 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -2980.393181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2980.393181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2980.393181 (E_RNA) where: Base-Base interactions energy: -2098.579 where: short stacking energy: -848.944 Base-Backbone interact. energy: -2.777 local terms energy: -879.037743 where: bonds (distance) C4'-P energy: -165.995 bonds (distance) P-C4' energy: -168.139 flat angles C4'-P-C4' energy: -184.281 flat angles P-C4'-P energy: -119.174 tors. eta vs tors. theta energy: -241.450 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: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -2877.991623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.991623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.991623 (E_RNA) where: Base-Base interactions energy: -1993.766 where: short stacking energy: -824.276 Base-Backbone interact. energy: -4.367 local terms energy: -879.859045 where: bonds (distance) C4'-P energy: -163.750 bonds (distance) P-C4' energy: -167.247 flat angles C4'-P-C4' energy: -196.814 flat angles P-C4'-P energy: -128.330 tors. eta vs tors. theta energy: -223.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -2706.252830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.252830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.252830 (E_RNA) where: Base-Base interactions energy: -1872.301 where: short stacking energy: -807.641 Base-Backbone interact. energy: 1.875 local terms energy: -835.827163 where: bonds (distance) C4'-P energy: -162.823 bonds (distance) P-C4' energy: -165.015 flat angles C4'-P-C4' energy: -180.894 flat angles P-C4'-P energy: -112.692 tors. eta vs tors. theta energy: -214.402 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: 1 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -2560.338076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.338076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.338076 (E_RNA) where: Base-Base interactions energy: -1732.193 where: short stacking energy: -780.251 Base-Backbone interact. energy: 1.372 local terms energy: -829.517092 where: bonds (distance) C4'-P energy: -151.320 bonds (distance) P-C4' energy: -161.372 flat angles C4'-P-C4' energy: -183.839 flat angles P-C4'-P energy: -109.537 tors. eta vs tors. theta energy: -223.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -2278.764516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2278.764516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2278.764516 (E_RNA) where: Base-Base interactions energy: -1500.868 where: short stacking energy: -676.925 Base-Backbone interact. energy: -0.280 local terms energy: -777.616669 where: bonds (distance) C4'-P energy: -147.735 bonds (distance) P-C4' energy: -162.628 flat angles C4'-P-C4' energy: -173.845 flat angles P-C4'-P energy: -111.263 tors. eta vs tors. theta energy: -182.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -1967.991746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.991746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.991746 (E_RNA) where: Base-Base interactions energy: -1270.968 where: short stacking energy: -572.822 Base-Backbone interact. energy: -1.608 local terms energy: -695.416062 where: bonds (distance) C4'-P energy: -131.344 bonds (distance) P-C4' energy: -143.478 flat angles C4'-P-C4' energy: -179.013 flat angles P-C4'-P energy: -105.302 tors. eta vs tors. theta energy: -136.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -1879.993067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.993067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.993067 (E_RNA) where: Base-Base interactions energy: -1209.241 where: short stacking energy: -510.529 Base-Backbone interact. energy: 1.427 local terms energy: -672.179368 where: bonds (distance) C4'-P energy: -143.597 bonds (distance) P-C4' energy: -170.681 flat angles C4'-P-C4' energy: -146.875 flat angles P-C4'-P energy: -102.260 tors. eta vs tors. theta energy: -108.765 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: 10, replica: 5 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -1123.888397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.888397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.888397 (E_RNA) where: Base-Base interactions energy: -647.378 where: short stacking energy: -317.154 Base-Backbone interact. energy: 7.193 local terms energy: -483.702721 where: bonds (distance) C4'-P energy: -119.080 bonds (distance) P-C4' energy: -158.916 flat angles C4'-P-C4' energy: -114.989 flat angles P-C4'-P energy: -76.594 tors. eta vs tors. theta energy: -14.124 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: 1, replica: 7 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -3216.832558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.832558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.832558 (E_RNA) where: Base-Base interactions energy: -2234.499 where: short stacking energy: -909.905 Base-Backbone interact. energy: -1.165 local terms energy: -981.168389 where: bonds (distance) C4'-P energy: -185.158 bonds (distance) P-C4' energy: -188.459 flat angles C4'-P-C4' energy: -197.600 flat angles P-C4'-P energy: -140.293 tors. eta vs tors. theta energy: -269.657 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: 2 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -3115.848184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.848184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.848184 (E_RNA) where: Base-Base interactions energy: -2155.939 where: short stacking energy: -947.914 Base-Backbone interact. energy: -4.772 local terms energy: -955.137210 where: bonds (distance) C4'-P energy: -163.710 bonds (distance) P-C4' energy: -178.125 flat angles C4'-P-C4' energy: -202.660 flat angles P-C4'-P energy: -136.721 tors. eta vs tors. theta energy: -273.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -2924.852709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.852709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.852709 (E_RNA) where: Base-Base interactions energy: -2026.964 where: short stacking energy: -859.862 Base-Backbone interact. energy: -3.194 local terms energy: -894.695246 where: bonds (distance) C4'-P energy: -164.969 bonds (distance) P-C4' energy: -169.646 flat angles C4'-P-C4' energy: -190.547 flat angles P-C4'-P energy: -130.232 tors. eta vs tors. theta energy: -239.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -2866.885554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.885554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.885554 (E_RNA) where: Base-Base interactions energy: -1979.616 where: short stacking energy: -826.954 Base-Backbone interact. energy: -2.961 local terms energy: -884.308189 where: bonds (distance) C4'-P energy: -157.326 bonds (distance) P-C4' energy: -176.441 flat angles C4'-P-C4' energy: -192.141 flat angles P-C4'-P energy: -130.896 tors. eta vs tors. theta energy: -227.504 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: 10 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -2734.204133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.204133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.204133 (E_RNA) where: Base-Base interactions energy: -1891.476 where: short stacking energy: -790.619 Base-Backbone interact. energy: -4.034 local terms energy: -838.693803 where: bonds (distance) C4'-P energy: -156.109 bonds (distance) P-C4' energy: -158.949 flat angles C4'-P-C4' energy: -183.047 flat angles P-C4'-P energy: -125.505 tors. eta vs tors. theta energy: -215.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -2574.933499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.933499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.933499 (E_RNA) where: Base-Base interactions energy: -1787.230 where: short stacking energy: -797.973 Base-Backbone interact. energy: -1.519 local terms energy: -786.183703 where: bonds (distance) C4'-P energy: -135.270 bonds (distance) P-C4' energy: -156.075 flat angles C4'-P-C4' energy: -175.577 flat angles P-C4'-P energy: -117.983 tors. eta vs tors. theta energy: -201.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -2294.406005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2294.406005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2294.406005 (E_RNA) where: Base-Base interactions energy: -1532.960 where: short stacking energy: -703.601 Base-Backbone interact. energy: -0.143 local terms energy: -761.302855 where: bonds (distance) C4'-P energy: -151.286 bonds (distance) P-C4' energy: -155.289 flat angles C4'-P-C4' energy: -172.855 flat angles P-C4'-P energy: -93.215 tors. eta vs tors. theta energy: -188.658 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: 196 Temperature: 1.250000 Total energy: -1978.344650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.344650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.344650 (E_RNA) where: Base-Base interactions energy: -1301.788 where: short stacking energy: -580.951 Base-Backbone interact. energy: -3.703 local terms energy: -672.854366 where: bonds (distance) C4'-P energy: -126.540 bonds (distance) P-C4' energy: -155.768 flat angles C4'-P-C4' energy: -149.437 flat angles P-C4'-P energy: -100.088 tors. eta vs tors. theta energy: -141.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -1811.335731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1811.335731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1811.335731 (E_RNA) where: Base-Base interactions energy: -1209.929 where: short stacking energy: -517.726 Base-Backbone interact. energy: -1.635 local terms energy: -599.772203 where: bonds (distance) C4'-P energy: -150.470 bonds (distance) P-C4' energy: -134.770 flat angles C4'-P-C4' energy: -129.602 flat angles P-C4'-P energy: -94.469 tors. eta vs tors. theta energy: -90.462 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: 5 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -1153.368123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.368123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.368123 (E_RNA) where: Base-Base interactions energy: -664.675 where: short stacking energy: -335.771 Base-Backbone interact. energy: -2.323 local terms energy: -486.370240 where: bonds (distance) C4'-P energy: -135.056 bonds (distance) P-C4' energy: -134.013 flat angles C4'-P-C4' energy: -128.434 flat angles P-C4'-P energy: -66.356 tors. eta vs tors. theta energy: -22.510 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: 1, replica: 7 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -3223.697001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.697001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.697001 (E_RNA) where: Base-Base interactions energy: -2265.864 where: short stacking energy: -974.960 Base-Backbone interact. energy: -4.102 local terms energy: -953.730338 where: bonds (distance) C4'-P energy: -178.380 bonds (distance) P-C4' energy: -157.895 flat angles C4'-P-C4' energy: -211.255 flat angles P-C4'-P energy: -138.458 tors. eta vs tors. theta energy: -267.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -3115.860831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.860831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.860831 (E_RNA) where: Base-Base interactions energy: -2148.070 where: short stacking energy: -920.103 Base-Backbone interact. energy: -0.415 local terms energy: -967.375108 where: bonds (distance) C4'-P energy: -189.015 bonds (distance) P-C4' energy: -176.620 flat angles C4'-P-C4' energy: -196.744 flat angles P-C4'-P energy: -134.556 tors. eta vs tors. theta energy: -270.440 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: 4 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -2922.699787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.699787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.699787 (E_RNA) where: Base-Base interactions energy: -2016.427 where: short stacking energy: -815.245 Base-Backbone interact. energy: -0.866 local terms energy: -905.406381 where: bonds (distance) C4'-P energy: -161.974 bonds (distance) P-C4' energy: -178.807 flat angles C4'-P-C4' energy: -203.455 flat angles P-C4'-P energy: -127.054 tors. eta vs tors. theta energy: -234.116 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: 197 Temperature: 1.050000 Total energy: -2881.955738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.955738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.955738 (E_RNA) where: Base-Base interactions energy: -2060.518 where: short stacking energy: -852.203 Base-Backbone interact. energy: -3.161 local terms energy: -818.276084 where: bonds (distance) C4'-P energy: -155.656 bonds (distance) P-C4' energy: -159.160 flat angles C4'-P-C4' energy: -175.003 flat angles P-C4'-P energy: -105.475 tors. eta vs tors. theta energy: -222.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -2729.404672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.404672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.404672 (E_RNA) where: Base-Base interactions energy: -1944.932 where: short stacking energy: -782.256 Base-Backbone interact. energy: -1.525 local terms energy: -782.948046 where: bonds (distance) C4'-P energy: -146.182 bonds (distance) P-C4' energy: -150.272 flat angles C4'-P-C4' energy: -173.262 flat angles P-C4'-P energy: -98.838 tors. eta vs tors. theta energy: -214.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -2533.083196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.083196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.083196 (E_RNA) where: Base-Base interactions energy: -1773.918 where: short stacking energy: -746.757 Base-Backbone interact. energy: -2.167 local terms energy: -756.998627 where: bonds (distance) C4'-P energy: -148.430 bonds (distance) P-C4' energy: -120.031 flat angles C4'-P-C4' energy: -169.476 flat angles P-C4'-P energy: -113.981 tors. eta vs tors. theta energy: -205.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -2298.397148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2298.397148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2298.397148 (E_RNA) where: Base-Base interactions energy: -1565.799 where: short stacking energy: -699.557 Base-Backbone interact. energy: 3.747 local terms energy: -736.344472 where: bonds (distance) C4'-P energy: -126.803 bonds (distance) P-C4' energy: -142.552 flat angles C4'-P-C4' energy: -186.673 flat angles P-C4'-P energy: -103.785 tors. eta vs tors. theta energy: -176.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -1946.694135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.694135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.694135 (E_RNA) where: Base-Base interactions energy: -1281.785 where: short stacking energy: -558.997 Base-Backbone interact. energy: 0.168 local terms energy: -665.077140 where: bonds (distance) C4'-P energy: -142.790 bonds (distance) P-C4' energy: -149.725 flat angles C4'-P-C4' energy: -162.961 flat angles P-C4'-P energy: -79.832 tors. eta vs tors. theta energy: -129.770 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: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -1859.687264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.687264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.687264 (E_RNA) where: Base-Base interactions energy: -1210.064 where: short stacking energy: -548.839 Base-Backbone interact. energy: -1.476 local terms energy: -648.146900 where: bonds (distance) C4'-P energy: -145.250 bonds (distance) P-C4' energy: -140.951 flat angles C4'-P-C4' energy: -158.674 flat angles P-C4'-P energy: -95.328 tors. eta vs tors. theta energy: -107.943 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: 5 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -1250.463740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.463740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.463740 (E_RNA) where: Base-Base interactions energy: -739.040 where: short stacking energy: -358.376 Base-Backbone interact. energy: 6.806 local terms energy: -518.229972 where: bonds (distance) C4'-P energy: -139.602 bonds (distance) P-C4' energy: -160.887 flat angles C4'-P-C4' energy: -124.356 flat angles P-C4'-P energy: -64.936 tors. eta vs tors. theta energy: -28.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -3207.318027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.318027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.318027 (E_RNA) where: Base-Base interactions energy: -2249.533 where: short stacking energy: -928.214 Base-Backbone interact. energy: 1.871 local terms energy: -959.655821 where: bonds (distance) C4'-P energy: -168.282 bonds (distance) P-C4' energy: -178.169 flat angles C4'-P-C4' energy: -205.199 flat angles P-C4'-P energy: -141.014 tors. eta vs tors. theta energy: -266.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -3109.796185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.796185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.796185 (E_RNA) where: Base-Base interactions energy: -2173.966 where: short stacking energy: -938.112 Base-Backbone interact. energy: -2.158 local terms energy: -933.672145 where: bonds (distance) C4'-P energy: -177.152 bonds (distance) P-C4' energy: -180.256 flat angles C4'-P-C4' energy: -191.333 flat angles P-C4'-P energy: -122.787 tors. eta vs tors. theta energy: -262.144 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: 4 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -2924.110178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.110178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.110178 (E_RNA) where: Base-Base interactions energy: -2038.242 where: short stacking energy: -847.338 Base-Backbone interact. energy: 0.331 local terms energy: -886.198397 where: bonds (distance) C4'-P energy: -163.963 bonds (distance) P-C4' energy: -169.961 flat angles C4'-P-C4' energy: -199.342 flat angles P-C4'-P energy: -117.565 tors. eta vs tors. theta energy: -235.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -2866.868769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.868769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.868769 (E_RNA) where: Base-Base interactions energy: -2010.168 where: short stacking energy: -853.771 Base-Backbone interact. energy: -3.033 local terms energy: -853.667976 where: bonds (distance) C4'-P energy: -173.536 bonds (distance) P-C4' energy: -155.480 flat angles C4'-P-C4' energy: -186.472 flat angles P-C4'-P energy: -104.429 tors. eta vs tors. theta energy: -233.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -2686.556031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.556031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.556031 (E_RNA) where: Base-Base interactions energy: -1833.202 where: short stacking energy: -763.263 Base-Backbone interact. energy: -2.433 local terms energy: -850.920262 where: bonds (distance) C4'-P energy: -157.745 bonds (distance) P-C4' energy: -158.009 flat angles C4'-P-C4' energy: -190.549 flat angles P-C4'-P energy: -131.090 tors. eta vs tors. theta energy: -213.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -2588.999715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.999715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.999715 (E_RNA) where: Base-Base interactions energy: -1788.049 where: short stacking energy: -762.938 Base-Backbone interact. energy: -0.732 local terms energy: -800.218483 where: bonds (distance) C4'-P energy: -157.666 bonds (distance) P-C4' energy: -150.826 flat angles C4'-P-C4' energy: -173.812 flat angles P-C4'-P energy: -120.085 tors. eta vs tors. theta energy: -197.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -2332.956340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.956340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.956340 (E_RNA) where: Base-Base interactions energy: -1581.472 where: short stacking energy: -673.263 Base-Backbone interact. energy: -0.784 local terms energy: -750.700443 where: bonds (distance) C4'-P energy: -139.447 bonds (distance) P-C4' energy: -148.087 flat angles C4'-P-C4' energy: -185.104 flat angles P-C4'-P energy: -98.184 tors. eta vs tors. theta energy: -179.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1845.959036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.959036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.959036 (E_RNA) where: Base-Base interactions energy: -1206.574 where: short stacking energy: -555.861 Base-Backbone interact. energy: -0.821 local terms energy: -638.563753 where: bonds (distance) C4'-P energy: -136.025 bonds (distance) P-C4' energy: -157.067 flat angles C4'-P-C4' energy: -150.729 flat angles P-C4'-P energy: -85.796 tors. eta vs tors. theta energy: -108.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -1835.653437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.653437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.653437 (E_RNA) where: Base-Base interactions energy: -1190.095 where: short stacking energy: -572.118 Base-Backbone interact. energy: 4.429 local terms energy: -649.987872 where: bonds (distance) C4'-P energy: -134.641 bonds (distance) P-C4' energy: -131.748 flat angles C4'-P-C4' energy: -155.987 flat angles P-C4'-P energy: -100.680 tors. eta vs tors. theta energy: -126.933 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: 5 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -1257.386392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.386392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.386392 (E_RNA) where: Base-Base interactions energy: -745.916 where: short stacking energy: -373.302 Base-Backbone interact. energy: -0.250 local terms energy: -511.220187 where: bonds (distance) C4'-P energy: -126.795 bonds (distance) P-C4' energy: -145.938 flat angles C4'-P-C4' energy: -125.171 flat angles P-C4'-P energy: -76.435 tors. eta vs tors. theta energy: -36.880 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: 1, replica: 7 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -3178.301498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.301498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.301498 (E_RNA) where: Base-Base interactions energy: -2228.936 where: short stacking energy: -924.202 Base-Backbone interact. energy: -6.574 local terms energy: -942.791861 where: bonds (distance) C4'-P energy: -164.001 bonds (distance) P-C4' energy: -175.122 flat angles C4'-P-C4' energy: -206.192 flat angles P-C4'-P energy: -150.065 tors. eta vs tors. theta energy: -247.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -3127.209167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.209167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.209167 (E_RNA) where: Base-Base interactions energy: -2192.332 where: short stacking energy: -921.793 Base-Backbone interact. energy: -2.538 local terms energy: -932.339113 where: bonds (distance) C4'-P energy: -162.910 bonds (distance) P-C4' energy: -175.787 flat angles C4'-P-C4' energy: -201.483 flat angles P-C4'-P energy: -127.777 tors. eta vs tors. theta energy: -264.382 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: 4 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -2919.601111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.601111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.601111 (E_RNA) where: Base-Base interactions energy: -2042.858 where: short stacking energy: -845.641 Base-Backbone interact. energy: -4.662 local terms energy: -872.081413 where: bonds (distance) C4'-P energy: -161.289 bonds (distance) P-C4' energy: -164.036 flat angles C4'-P-C4' energy: -197.128 flat angles P-C4'-P energy: -121.738 tors. eta vs tors. theta energy: -227.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -2826.945804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.945804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.945804 (E_RNA) where: Base-Base interactions energy: -1970.214 where: short stacking energy: -802.879 Base-Backbone interact. energy: -3.120 local terms energy: -853.611233 where: bonds (distance) C4'-P energy: -173.150 bonds (distance) P-C4' energy: -164.132 flat angles C4'-P-C4' energy: -173.923 flat angles P-C4'-P energy: -121.978 tors. eta vs tors. theta energy: -220.428 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: 10 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -2733.308775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2733.308775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2733.308775 (E_RNA) where: Base-Base interactions energy: -1909.087 where: short stacking energy: -784.103 Base-Backbone interact. energy: -0.966 local terms energy: -823.256159 where: bonds (distance) C4'-P energy: -151.237 bonds (distance) P-C4' energy: -167.709 flat angles C4'-P-C4' energy: -177.003 flat angles P-C4'-P energy: -113.151 tors. eta vs tors. theta energy: -214.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -2518.001412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.001412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.001412 (E_RNA) where: Base-Base interactions energy: -1724.627 where: short stacking energy: -749.449 Base-Backbone interact. energy: -3.310 local terms energy: -790.064100 where: bonds (distance) C4'-P energy: -141.189 bonds (distance) P-C4' energy: -159.700 flat angles C4'-P-C4' energy: -179.815 flat angles P-C4'-P energy: -107.430 tors. eta vs tors. theta energy: -201.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -2277.469317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.469317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.469317 (E_RNA) where: Base-Base interactions energy: -1528.588 where: short stacking energy: -670.720 Base-Backbone interact. energy: -0.349 local terms energy: -748.532725 where: bonds (distance) C4'-P energy: -128.876 bonds (distance) P-C4' energy: -163.042 flat angles C4'-P-C4' energy: -165.123 flat angles P-C4'-P energy: -112.192 tors. eta vs tors. theta energy: -179.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1903.188518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1903.188518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1903.188518 (E_RNA) where: Base-Base interactions energy: -1225.670 where: short stacking energy: -547.506 Base-Backbone interact. energy: -3.333 local terms energy: -674.185610 where: bonds (distance) C4'-P energy: -150.536 bonds (distance) P-C4' energy: -160.993 flat angles C4'-P-C4' energy: -140.928 flat angles P-C4'-P energy: -122.321 tors. eta vs tors. theta energy: -99.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -1838.729512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.729512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.729512 (E_RNA) where: Base-Base interactions energy: -1207.690 where: short stacking energy: -555.425 Base-Backbone interact. energy: -1.889 local terms energy: -629.150069 where: bonds (distance) C4'-P energy: -130.807 bonds (distance) P-C4' energy: -142.731 flat angles C4'-P-C4' energy: -155.746 flat angles P-C4'-P energy: -92.545 tors. eta vs tors. theta energy: -107.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -1256.943909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.943909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.943909 (E_RNA) where: Base-Base interactions energy: -746.543 where: short stacking energy: -375.127 Base-Backbone interact. energy: 11.365 local terms energy: -521.765746 where: bonds (distance) C4'-P energy: -135.973 bonds (distance) P-C4' energy: -133.793 flat angles C4'-P-C4' energy: -134.536 flat angles P-C4'-P energy: -76.797 tors. eta vs tors. theta energy: -40.667 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: 7 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -3202.468722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.468722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.468722 (E_RNA) where: Base-Base interactions energy: -2256.349 where: short stacking energy: -926.314 Base-Backbone interact. energy: 5.721 local terms energy: -951.840814 where: bonds (distance) C4'-P energy: -176.507 bonds (distance) P-C4' energy: -165.972 flat angles C4'-P-C4' energy: -211.346 flat angles P-C4'-P energy: -135.743 tors. eta vs tors. theta energy: -262.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -3107.415523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.415523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.415523 (E_RNA) where: Base-Base interactions energy: -2178.046 where: short stacking energy: -944.069 Base-Backbone interact. energy: 3.562 local terms energy: -932.931203 where: bonds (distance) C4'-P energy: -159.644 bonds (distance) P-C4' energy: -159.609 flat angles C4'-P-C4' energy: -211.470 flat angles P-C4'-P energy: -134.003 tors. eta vs tors. theta energy: -268.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -2935.003276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.003276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.003276 (E_RNA) where: Base-Base interactions energy: -2038.681 where: short stacking energy: -863.699 Base-Backbone interact. energy: 2.621 local terms energy: -898.942893 where: bonds (distance) C4'-P energy: -169.507 bonds (distance) P-C4' energy: -171.784 flat angles C4'-P-C4' energy: -197.441 flat angles P-C4'-P energy: -123.137 tors. eta vs tors. theta energy: -237.074 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: 8 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -2885.360612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.360612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.360612 (E_RNA) where: Base-Base interactions energy: -2016.293 where: short stacking energy: -847.384 Base-Backbone interact. energy: -0.286 local terms energy: -868.781803 where: bonds (distance) C4'-P energy: -169.724 bonds (distance) P-C4' energy: -159.543 flat angles C4'-P-C4' energy: -187.597 flat angles P-C4'-P energy: -120.587 tors. eta vs tors. theta energy: -231.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -2713.503627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2713.503627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2713.503627 (E_RNA) where: Base-Base interactions energy: -1877.368 where: short stacking energy: -800.906 Base-Backbone interact. energy: -4.301 local terms energy: -831.834124 where: bonds (distance) C4'-P energy: -168.831 bonds (distance) P-C4' energy: -164.449 flat angles C4'-P-C4' energy: -174.484 flat angles P-C4'-P energy: -117.763 tors. eta vs tors. theta energy: -206.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -2503.836112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.836112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.836112 (E_RNA) where: Base-Base interactions energy: -1725.974 where: short stacking energy: -738.100 Base-Backbone interact. energy: -0.249 local terms energy: -777.613040 where: bonds (distance) C4'-P energy: -132.342 bonds (distance) P-C4' energy: -146.603 flat angles C4'-P-C4' energy: -183.505 flat angles P-C4'-P energy: -119.305 tors. eta vs tors. theta energy: -195.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -2318.292283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2318.292283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2318.292283 (E_RNA) where: Base-Base interactions energy: -1579.176 where: short stacking energy: -691.953 Base-Backbone interact. energy: -1.099 local terms energy: -738.016771 where: bonds (distance) C4'-P energy: -144.628 bonds (distance) P-C4' energy: -157.536 flat angles C4'-P-C4' energy: -173.619 flat angles P-C4'-P energy: -92.073 tors. eta vs tors. theta energy: -170.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1937.643066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.643066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.643066 (E_RNA) where: Base-Base interactions energy: -1267.424 where: short stacking energy: -557.936 Base-Backbone interact. energy: -3.899 local terms energy: -666.319494 where: bonds (distance) C4'-P energy: -147.468 bonds (distance) P-C4' energy: -146.037 flat angles C4'-P-C4' energy: -156.747 flat angles P-C4'-P energy: -100.836 tors. eta vs tors. theta energy: -115.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -1778.416948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.416948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.416948 (E_RNA) where: Base-Base interactions energy: -1137.346 where: short stacking energy: -522.224 Base-Backbone interact. energy: -0.406 local terms energy: -640.665518 where: bonds (distance) C4'-P energy: -127.174 bonds (distance) P-C4' energy: -136.235 flat angles C4'-P-C4' energy: -158.888 flat angles P-C4'-P energy: -96.774 tors. eta vs tors. theta energy: -121.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -1241.178600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.178600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.178600 (E_RNA) where: Base-Base interactions energy: -695.824 where: short stacking energy: -355.525 Base-Backbone interact. energy: 1.310 local terms energy: -546.664759 where: bonds (distance) C4'-P energy: -154.501 bonds (distance) P-C4' energy: -162.158 flat angles C4'-P-C4' energy: -126.124 flat angles P-C4'-P energy: -93.002 tors. eta vs tors. theta energy: -10.880 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: 1, replica: 7 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -3224.112809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.112809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.112809 (E_RNA) where: Base-Base interactions energy: -2245.716 where: short stacking energy: -945.730 Base-Backbone interact. energy: -3.742 local terms energy: -974.654390 where: bonds (distance) C4'-P energy: -179.971 bonds (distance) P-C4' energy: -199.076 flat angles C4'-P-C4' energy: -204.388 flat angles P-C4'-P energy: -127.730 tors. eta vs tors. theta energy: -263.489 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: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -3071.321521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.321521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.321521 (E_RNA) where: Base-Base interactions energy: -2130.566 where: short stacking energy: -910.577 Base-Backbone interact. energy: -4.359 local terms energy: -936.396832 where: bonds (distance) C4'-P energy: -164.200 bonds (distance) P-C4' energy: -180.380 flat angles C4'-P-C4' energy: -194.847 flat angles P-C4'-P energy: -128.189 tors. eta vs tors. theta energy: -268.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -2958.618112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.618112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.618112 (E_RNA) where: Base-Base interactions energy: -2062.253 where: short stacking energy: -857.337 Base-Backbone interact. energy: -2.780 local terms energy: -893.585151 where: bonds (distance) C4'-P energy: -173.330 bonds (distance) P-C4' energy: -159.093 flat angles C4'-P-C4' energy: -185.037 flat angles P-C4'-P energy: -133.053 tors. eta vs tors. theta energy: -243.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -2869.011276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.011276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.011276 (E_RNA) where: Base-Base interactions energy: -1986.372 where: short stacking energy: -828.259 Base-Backbone interact. energy: -0.964 local terms energy: -881.675692 where: bonds (distance) C4'-P energy: -166.861 bonds (distance) P-C4' energy: -175.874 flat angles C4'-P-C4' energy: -193.555 flat angles P-C4'-P energy: -123.652 tors. eta vs tors. theta energy: -221.734 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: 5, replica: 10 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -2736.161849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.161849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.161849 (E_RNA) where: Base-Base interactions energy: -1932.453 where: short stacking energy: -793.548 Base-Backbone interact. energy: -4.442 local terms energy: -799.267671 where: bonds (distance) C4'-P energy: -163.174 bonds (distance) P-C4' energy: -140.028 flat angles C4'-P-C4' energy: -182.752 flat angles P-C4'-P energy: -102.646 tors. eta vs tors. theta energy: -210.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -2509.874342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2509.874342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2509.874342 (E_RNA) where: Base-Base interactions energy: -1731.363 where: short stacking energy: -772.955 Base-Backbone interact. energy: 0.665 local terms energy: -779.176452 where: bonds (distance) C4'-P energy: -133.254 bonds (distance) P-C4' energy: -150.615 flat angles C4'-P-C4' energy: -185.032 flat angles P-C4'-P energy: -96.210 tors. eta vs tors. theta energy: -214.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -2339.861269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.861269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.861269 (E_RNA) where: Base-Base interactions energy: -1581.388 where: short stacking energy: -695.878 Base-Backbone interact. energy: -4.424 local terms energy: -754.049617 where: bonds (distance) C4'-P energy: -150.708 bonds (distance) P-C4' energy: -159.557 flat angles C4'-P-C4' energy: -165.505 flat angles P-C4'-P energy: -118.909 tors. eta vs tors. theta energy: -159.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1962.040886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.040886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.040886 (E_RNA) where: Base-Base interactions energy: -1318.370 where: short stacking energy: -514.585 Base-Backbone interact. energy: 0.766 local terms energy: -644.436948 where: bonds (distance) C4'-P energy: -142.984 bonds (distance) P-C4' energy: -152.133 flat angles C4'-P-C4' energy: -134.634 flat angles P-C4'-P energy: -101.163 tors. eta vs tors. theta energy: -113.523 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: 3 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -1784.520054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.520054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.520054 (E_RNA) where: Base-Base interactions energy: -1185.982 where: short stacking energy: -499.055 Base-Backbone interact. energy: -0.848 local terms energy: -597.689892 where: bonds (distance) C4'-P energy: -116.760 bonds (distance) P-C4' energy: -143.401 flat angles C4'-P-C4' energy: -134.355 flat angles P-C4'-P energy: -91.224 tors. eta vs tors. theta energy: -111.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -1234.283294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.283294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.283294 (E_RNA) where: Base-Base interactions energy: -731.809 where: short stacking energy: -337.351 Base-Backbone interact. energy: 0.970 local terms energy: -503.444424 where: bonds (distance) C4'-P energy: -141.704 bonds (distance) P-C4' energy: -131.727 flat angles C4'-P-C4' energy: -136.617 flat angles P-C4'-P energy: -76.549 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: 7 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -3208.514716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.514716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.514716 (E_RNA) where: Base-Base interactions energy: -2231.561 where: short stacking energy: -955.580 Base-Backbone interact. energy: -3.006 local terms energy: -973.947027 where: bonds (distance) C4'-P energy: -170.372 bonds (distance) P-C4' energy: -185.079 flat angles C4'-P-C4' energy: -214.877 flat angles P-C4'-P energy: -135.359 tors. eta vs tors. theta energy: -268.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -3113.237238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.237238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.237238 (E_RNA) where: Base-Base interactions energy: -2177.431 where: short stacking energy: -921.681 Base-Backbone interact. energy: -4.286 local terms energy: -931.520500 where: bonds (distance) C4'-P energy: -172.594 bonds (distance) P-C4' energy: -158.003 flat angles C4'-P-C4' energy: -190.058 flat angles P-C4'-P energy: -129.598 tors. eta vs tors. theta energy: -281.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -2943.182702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.182702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.182702 (E_RNA) where: Base-Base interactions energy: -2066.978 where: short stacking energy: -871.565 Base-Backbone interact. energy: -1.459 local terms energy: -874.745993 where: bonds (distance) C4'-P energy: -170.684 bonds (distance) P-C4' energy: -177.637 flat angles C4'-P-C4' energy: -189.653 flat angles P-C4'-P energy: -121.205 tors. eta vs tors. theta energy: -215.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -2864.051563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.051563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.051563 (E_RNA) where: Base-Base interactions energy: -1993.290 where: short stacking energy: -803.128 Base-Backbone interact. energy: -1.445 local terms energy: -869.316880 where: bonds (distance) C4'-P energy: -162.619 bonds (distance) P-C4' energy: -170.866 flat angles C4'-P-C4' energy: -195.830 flat angles P-C4'-P energy: -110.813 tors. eta vs tors. theta energy: -229.189 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: 10 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -2748.361535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.361535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.361535 (E_RNA) where: Base-Base interactions energy: -1923.103 where: short stacking energy: -776.312 Base-Backbone interact. energy: 3.058 local terms energy: -828.316821 where: bonds (distance) C4'-P energy: -147.673 bonds (distance) P-C4' energy: -164.586 flat angles C4'-P-C4' energy: -182.969 flat angles P-C4'-P energy: -119.817 tors. eta vs tors. theta energy: -213.272 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: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -2560.157177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.157177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.157177 (E_RNA) where: Base-Base interactions energy: -1753.807 where: short stacking energy: -772.934 Base-Backbone interact. energy: -2.630 local terms energy: -803.719598 where: bonds (distance) C4'-P energy: -157.155 bonds (distance) P-C4' energy: -141.494 flat angles C4'-P-C4' energy: -186.444 flat angles P-C4'-P energy: -102.829 tors. eta vs tors. theta energy: -215.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -2335.016398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.016398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.016398 (E_RNA) where: Base-Base interactions energy: -1587.033 where: short stacking energy: -668.996 Base-Backbone interact. energy: -0.405 local terms energy: -747.578179 where: bonds (distance) C4'-P energy: -150.407 bonds (distance) P-C4' energy: -162.811 flat angles C4'-P-C4' energy: -172.355 flat angles P-C4'-P energy: -93.216 tors. eta vs tors. theta energy: -168.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -2053.660560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.660560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.660560 (E_RNA) where: Base-Base interactions energy: -1365.672 where: short stacking energy: -575.597 Base-Backbone interact. energy: -4.065 local terms energy: -683.923006 where: bonds (distance) C4'-P energy: -136.228 bonds (distance) P-C4' energy: -157.565 flat angles C4'-P-C4' energy: -147.751 flat angles P-C4'-P energy: -88.379 tors. eta vs tors. theta energy: -154.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -1734.084186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.084186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.084186 (E_RNA) where: Base-Base interactions energy: -1099.951 where: short stacking energy: -508.364 Base-Backbone interact. energy: 6.041 local terms energy: -640.174396 where: bonds (distance) C4'-P energy: -153.646 bonds (distance) P-C4' energy: -140.317 flat angles C4'-P-C4' energy: -149.739 flat angles P-C4'-P energy: -80.683 tors. eta vs tors. theta energy: -115.790 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: 5 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -1167.884179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.884179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.884179 (E_RNA) where: Base-Base interactions energy: -665.221 where: short stacking energy: -330.192 Base-Backbone interact. energy: -0.581 local terms energy: -502.081725 where: bonds (distance) C4'-P energy: -142.812 bonds (distance) P-C4' energy: -136.176 flat angles C4'-P-C4' energy: -114.900 flat angles P-C4'-P energy: -81.653 tors. eta vs tors. theta energy: -26.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -3203.939367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.939367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.939367 (E_RNA) where: Base-Base interactions energy: -2208.570 where: short stacking energy: -955.152 Base-Backbone interact. energy: -2.990 local terms energy: -992.379100 where: bonds (distance) C4'-P energy: -179.999 bonds (distance) P-C4' energy: -186.759 flat angles C4'-P-C4' energy: -216.765 flat angles P-C4'-P energy: -141.247 tors. eta vs tors. theta energy: -267.609 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: 2 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -3092.892652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.892652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.892652 (E_RNA) where: Base-Base interactions energy: -2128.163 where: short stacking energy: -932.393 Base-Backbone interact. energy: -2.043 local terms energy: -962.686613 where: bonds (distance) C4'-P energy: -160.338 bonds (distance) P-C4' energy: -189.994 flat angles C4'-P-C4' energy: -200.117 flat angles P-C4'-P energy: -130.145 tors. eta vs tors. theta energy: -282.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -2986.059484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.059484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.059484 (E_RNA) where: Base-Base interactions energy: -2077.924 where: short stacking energy: -874.911 Base-Backbone interact. energy: -1.860 local terms energy: -906.275869 where: bonds (distance) C4'-P energy: -142.866 bonds (distance) P-C4' energy: -193.081 flat angles C4'-P-C4' energy: -200.096 flat angles P-C4'-P energy: -132.685 tors. eta vs tors. theta energy: -237.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -2903.248002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.248002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.248002 (E_RNA) where: Base-Base interactions energy: -2023.551 where: short stacking energy: -837.835 Base-Backbone interact. energy: 0.093 local terms energy: -879.790108 where: bonds (distance) C4'-P energy: -156.533 bonds (distance) P-C4' energy: -166.262 flat angles C4'-P-C4' energy: -193.780 flat angles P-C4'-P energy: -120.956 tors. eta vs tors. theta energy: -242.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -2747.670688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.670688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.670688 (E_RNA) where: Base-Base interactions energy: -1925.134 where: short stacking energy: -798.063 Base-Backbone interact. energy: -1.339 local terms energy: -821.197759 where: bonds (distance) C4'-P energy: -159.893 bonds (distance) P-C4' energy: -162.972 flat angles C4'-P-C4' energy: -192.737 flat angles P-C4'-P energy: -104.508 tors. eta vs tors. theta energy: -201.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -2513.788714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.788714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.788714 (E_RNA) where: Base-Base interactions energy: -1719.062 where: short stacking energy: -774.190 Base-Backbone interact. energy: -3.561 local terms energy: -791.165122 where: bonds (distance) C4'-P energy: -156.390 bonds (distance) P-C4' energy: -152.796 flat angles C4'-P-C4' energy: -167.285 flat angles P-C4'-P energy: -108.164 tors. eta vs tors. theta energy: -206.530 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: 203 Temperature: 1.200000 Total energy: -2308.233525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2308.233525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2308.233525 (E_RNA) where: Base-Base interactions energy: -1557.897 where: short stacking energy: -692.441 Base-Backbone interact. energy: -0.354 local terms energy: -749.982457 where: bonds (distance) C4'-P energy: -154.264 bonds (distance) P-C4' energy: -155.147 flat angles C4'-P-C4' energy: -161.258 flat angles P-C4'-P energy: -96.492 tors. eta vs tors. theta energy: -182.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -2006.387985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2006.387985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2006.387985 (E_RNA) where: Base-Base interactions energy: -1335.532 where: short stacking energy: -575.712 Base-Backbone interact. energy: 0.512 local terms energy: -671.367402 where: bonds (distance) C4'-P energy: -150.199 bonds (distance) P-C4' energy: -147.746 flat angles C4'-P-C4' energy: -146.890 flat angles P-C4'-P energy: -95.248 tors. eta vs tors. theta energy: -131.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -1854.886304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.886304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.886304 (E_RNA) where: Base-Base interactions energy: -1192.742 where: short stacking energy: -532.436 Base-Backbone interact. energy: -1.598 local terms energy: -660.546632 where: bonds (distance) C4'-P energy: -137.632 bonds (distance) P-C4' energy: -162.901 flat angles C4'-P-C4' energy: -162.837 flat angles P-C4'-P energy: -92.699 tors. eta vs tors. theta energy: -104.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -1187.061779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.061779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.061779 (E_RNA) where: Base-Base interactions energy: -692.771 where: short stacking energy: -338.867 Base-Backbone interact. energy: 6.224 local terms energy: -500.514975 where: bonds (distance) C4'-P energy: -115.624 bonds (distance) P-C4' energy: -140.446 flat angles C4'-P-C4' energy: -131.173 flat angles P-C4'-P energy: -82.456 tors. eta vs tors. theta energy: -30.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -3216.104862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.104862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.104862 (E_RNA) where: Base-Base interactions energy: -2266.275 where: short stacking energy: -925.945 Base-Backbone interact. energy: -2.642 local terms energy: -947.187760 where: bonds (distance) C4'-P energy: -165.479 bonds (distance) P-C4' energy: -188.421 flat angles C4'-P-C4' energy: -194.290 flat angles P-C4'-P energy: -133.128 tors. eta vs tors. theta energy: -265.871 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: 2 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -3118.011312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.011312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.011312 (E_RNA) where: Base-Base interactions energy: -2160.718 where: short stacking energy: -929.527 Base-Backbone interact. energy: -5.042 local terms energy: -952.251836 where: bonds (distance) C4'-P energy: -172.506 bonds (distance) P-C4' energy: -179.687 flat angles C4'-P-C4' energy: -202.266 flat angles P-C4'-P energy: -122.001 tors. eta vs tors. theta energy: -275.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -2920.337110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.337110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.337110 (E_RNA) where: Base-Base interactions energy: -2048.445 where: short stacking energy: -864.741 Base-Backbone interact. energy: -1.183 local terms energy: -870.708472 where: bonds (distance) C4'-P energy: -159.916 bonds (distance) P-C4' energy: -165.478 flat angles C4'-P-C4' energy: -183.569 flat angles P-C4'-P energy: -129.419 tors. eta vs tors. theta energy: -232.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -2837.652534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.652534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.652534 (E_RNA) where: Base-Base interactions energy: -1936.774 where: short stacking energy: -773.178 Base-Backbone interact. energy: -5.622 local terms energy: -895.256539 where: bonds (distance) C4'-P energy: -156.020 bonds (distance) P-C4' energy: -187.590 flat angles C4'-P-C4' energy: -198.545 flat angles P-C4'-P energy: -138.490 tors. eta vs tors. theta energy: -214.611 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: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -2754.287061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.287061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.287061 (E_RNA) where: Base-Base interactions energy: -1932.594 where: short stacking energy: -794.460 Base-Backbone interact. energy: -4.690 local terms energy: -817.003385 where: bonds (distance) C4'-P energy: -144.842 bonds (distance) P-C4' energy: -156.548 flat angles C4'-P-C4' energy: -195.630 flat angles P-C4'-P energy: -100.977 tors. eta vs tors. theta energy: -219.007 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: 6, replica: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -2550.017634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.017634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.017634 (E_RNA) where: Base-Base interactions energy: -1761.454 where: short stacking energy: -759.067 Base-Backbone interact. energy: 1.768 local terms energy: -790.331215 where: bonds (distance) C4'-P energy: -143.608 bonds (distance) P-C4' energy: -146.191 flat angles C4'-P-C4' energy: -168.126 flat angles P-C4'-P energy: -123.632 tors. eta vs tors. theta energy: -208.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -2314.269888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.269888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.269888 (E_RNA) where: Base-Base interactions energy: -1570.470 where: short stacking energy: -691.346 Base-Backbone interact. energy: -2.092 local terms energy: -741.707815 where: bonds (distance) C4'-P energy: -146.147 bonds (distance) P-C4' energy: -149.015 flat angles C4'-P-C4' energy: -188.647 flat angles P-C4'-P energy: -83.677 tors. eta vs tors. theta energy: -174.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1993.774941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.774941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.774941 (E_RNA) where: Base-Base interactions energy: -1335.441 where: short stacking energy: -584.602 Base-Backbone interact. energy: 0.968 local terms energy: -659.301885 where: bonds (distance) C4'-P energy: -151.194 bonds (distance) P-C4' energy: -150.150 flat angles C4'-P-C4' energy: -139.053 flat angles P-C4'-P energy: -88.874 tors. eta vs tors. theta energy: -130.032 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: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -1896.163635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.163635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.163635 (E_RNA) where: Base-Base interactions energy: -1254.981 where: short stacking energy: -604.197 Base-Backbone interact. energy: 0.087 local terms energy: -641.269351 where: bonds (distance) C4'-P energy: -137.592 bonds (distance) P-C4' energy: -149.477 flat angles C4'-P-C4' energy: -142.928 flat angles P-C4'-P energy: -90.858 tors. eta vs tors. theta energy: -120.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -1172.867931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.867931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.867931 (E_RNA) where: Base-Base interactions energy: -654.423 where: short stacking energy: -333.203 Base-Backbone interact. energy: 4.084 local terms energy: -522.528687 where: bonds (distance) C4'-P energy: -137.693 bonds (distance) P-C4' energy: -146.610 flat angles C4'-P-C4' energy: -126.579 flat angles P-C4'-P energy: -71.878 tors. eta vs tors. theta energy: -39.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -3259.781876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3259.781876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3259.781876 (E_RNA) where: Base-Base interactions energy: -2273.333 where: short stacking energy: -949.834 Base-Backbone interact. energy: -2.563 local terms energy: -983.885218 where: bonds (distance) C4'-P energy: -164.371 bonds (distance) P-C4' energy: -187.351 flat angles C4'-P-C4' energy: -214.143 flat angles P-C4'-P energy: -140.155 tors. eta vs tors. theta energy: -277.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -3126.753664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.753664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.753664 (E_RNA) where: Base-Base interactions energy: -2174.041 where: short stacking energy: -925.374 Base-Backbone interact. energy: -1.599 local terms energy: -951.113363 where: bonds (distance) C4'-P energy: -178.735 bonds (distance) P-C4' energy: -161.347 flat angles C4'-P-C4' energy: -201.158 flat angles P-C4'-P energy: -132.248 tors. eta vs tors. theta energy: -277.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -2952.661723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.661723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.661723 (E_RNA) where: Base-Base interactions energy: -2062.297 where: short stacking energy: -864.120 Base-Backbone interact. energy: -3.669 local terms energy: -886.696037 where: bonds (distance) C4'-P energy: -184.456 bonds (distance) P-C4' energy: -162.579 flat angles C4'-P-C4' energy: -197.032 flat angles P-C4'-P energy: -123.271 tors. eta vs tors. theta energy: -219.359 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: 4 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -2826.786815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.786815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.786815 (E_RNA) where: Base-Base interactions energy: -1967.053 where: short stacking energy: -814.773 Base-Backbone interact. energy: 2.335 local terms energy: -862.068172 where: bonds (distance) C4'-P energy: -175.373 bonds (distance) P-C4' energy: -170.236 flat angles C4'-P-C4' energy: -193.709 flat angles P-C4'-P energy: -102.974 tors. eta vs tors. theta energy: -219.776 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: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -2703.601377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.601377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.601377 (E_RNA) where: Base-Base interactions energy: -1886.888 where: short stacking energy: -762.732 Base-Backbone interact. energy: 0.675 local terms energy: -817.388098 where: bonds (distance) C4'-P energy: -166.884 bonds (distance) P-C4' energy: -155.759 flat angles C4'-P-C4' energy: -176.211 flat angles P-C4'-P energy: -114.259 tors. eta vs tors. theta energy: -204.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -2556.369782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2556.369782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2556.369782 (E_RNA) where: Base-Base interactions energy: -1748.788 where: short stacking energy: -759.317 Base-Backbone interact. energy: -2.399 local terms energy: -805.183113 where: bonds (distance) C4'-P energy: -169.761 bonds (distance) P-C4' energy: -137.620 flat angles C4'-P-C4' energy: -178.537 flat angles P-C4'-P energy: -107.366 tors. eta vs tors. theta energy: -211.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -2310.251066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.251066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.251066 (E_RNA) where: Base-Base interactions energy: -1552.701 where: short stacking energy: -695.116 Base-Backbone interact. energy: -1.589 local terms energy: -755.960842 where: bonds (distance) C4'-P energy: -135.704 bonds (distance) P-C4' energy: -150.220 flat angles C4'-P-C4' energy: -172.621 flat angles P-C4'-P energy: -105.939 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: 8, replica: 9 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1940.052998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.052998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.052998 (E_RNA) where: Base-Base interactions energy: -1288.584 where: short stacking energy: -578.477 Base-Backbone interact. energy: 2.282 local terms energy: -653.751370 where: bonds (distance) C4'-P energy: -159.633 bonds (distance) P-C4' energy: -161.606 flat angles C4'-P-C4' energy: -154.679 flat angles P-C4'-P energy: -62.660 tors. eta vs tors. theta energy: -115.174 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: 3 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -1826.288041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.288041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.288041 (E_RNA) where: Base-Base interactions energy: -1200.245 where: short stacking energy: -546.676 Base-Backbone interact. energy: 0.505 local terms energy: -626.547776 where: bonds (distance) C4'-P energy: -125.682 bonds (distance) P-C4' energy: -142.245 flat angles C4'-P-C4' energy: -155.566 flat angles P-C4'-P energy: -98.515 tors. eta vs tors. theta energy: -104.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -1195.280026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.280026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.280026 (E_RNA) where: Base-Base interactions energy: -680.365 where: short stacking energy: -332.472 Base-Backbone interact. energy: 0.633 local terms energy: -515.548534 where: bonds (distance) C4'-P energy: -142.554 bonds (distance) P-C4' energy: -144.644 flat angles C4'-P-C4' energy: -107.959 flat angles P-C4'-P energy: -112.213 tors. eta vs tors. theta energy: -8.180 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: 2 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -3204.166274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3204.166274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3204.166274 (E_RNA) where: Base-Base interactions energy: -2209.562 where: short stacking energy: -956.223 Base-Backbone interact. energy: -0.982 local terms energy: -993.622245 where: bonds (distance) C4'-P energy: -178.096 bonds (distance) P-C4' energy: -199.063 flat angles C4'-P-C4' energy: -209.366 flat angles P-C4'-P energy: -137.162 tors. eta vs tors. theta energy: -269.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -3109.065804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3109.065804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3109.065804 (E_RNA) where: Base-Base interactions energy: -2165.939 where: short stacking energy: -898.392 Base-Backbone interact. energy: -5.215 local terms energy: -937.911653 where: bonds (distance) C4'-P energy: -184.065 bonds (distance) P-C4' energy: -173.690 flat angles C4'-P-C4' energy: -193.337 flat angles P-C4'-P energy: -131.677 tors. eta vs tors. theta energy: -255.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -2922.951276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.951276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.951276 (E_RNA) where: Base-Base interactions energy: -2040.801 where: short stacking energy: -849.486 Base-Backbone interact. energy: -3.174 local terms energy: -878.976592 where: bonds (distance) C4'-P energy: -174.909 bonds (distance) P-C4' energy: -164.995 flat angles C4'-P-C4' energy: -195.313 flat angles P-C4'-P energy: -118.852 tors. eta vs tors. theta energy: -224.908 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: 4 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -2802.575782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.575782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.575782 (E_RNA) where: Base-Base interactions energy: -1937.803 where: short stacking energy: -829.451 Base-Backbone interact. energy: 2.624 local terms energy: -867.396851 where: bonds (distance) C4'-P energy: -174.800 bonds (distance) P-C4' energy: -165.874 flat angles C4'-P-C4' energy: -176.979 flat angles P-C4'-P energy: -120.645 tors. eta vs tors. theta energy: -229.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -2728.845306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2728.845306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2728.845306 (E_RNA) where: Base-Base interactions energy: -1905.325 where: short stacking energy: -791.146 Base-Backbone interact. energy: -2.098 local terms energy: -821.422070 where: bonds (distance) C4'-P energy: -167.495 bonds (distance) P-C4' energy: -154.321 flat angles C4'-P-C4' energy: -155.109 flat angles P-C4'-P energy: -124.909 tors. eta vs tors. theta energy: -219.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -2634.256021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.256021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.256021 (E_RNA) where: Base-Base interactions energy: -1841.153 where: short stacking energy: -810.704 Base-Backbone interact. energy: -1.285 local terms energy: -791.818868 where: bonds (distance) C4'-P energy: -129.578 bonds (distance) P-C4' energy: -172.433 flat angles C4'-P-C4' energy: -172.200 flat angles P-C4'-P energy: -92.871 tors. eta vs tors. theta energy: -224.738 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: 6 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -2302.479573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.479573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.479573 (E_RNA) where: Base-Base interactions energy: -1543.914 where: short stacking energy: -668.959 Base-Backbone interact. energy: -3.500 local terms energy: -755.065659 where: bonds (distance) C4'-P energy: -150.016 bonds (distance) P-C4' energy: -151.521 flat angles C4'-P-C4' energy: -174.395 flat angles P-C4'-P energy: -108.744 tors. eta vs tors. theta energy: -170.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -1950.415832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.415832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.415832 (E_RNA) where: Base-Base interactions energy: -1259.215 where: short stacking energy: -573.769 Base-Backbone interact. energy: -2.364 local terms energy: -688.836779 where: bonds (distance) C4'-P energy: -161.876 bonds (distance) P-C4' energy: -144.406 flat angles C4'-P-C4' energy: -147.031 flat angles P-C4'-P energy: -110.973 tors. eta vs tors. theta energy: -124.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -1804.329419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1804.329419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1804.329419 (E_RNA) where: Base-Base interactions energy: -1175.430 where: short stacking energy: -528.962 Base-Backbone interact. energy: 0.845 local terms energy: -629.744048 where: bonds (distance) C4'-P energy: -138.246 bonds (distance) P-C4' energy: -157.280 flat angles C4'-P-C4' energy: -141.378 flat angles P-C4'-P energy: -95.323 tors. eta vs tors. theta energy: -97.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -1258.997253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.997253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.997253 (E_RNA) where: Base-Base interactions energy: -732.317 where: short stacking energy: -385.565 Base-Backbone interact. energy: 0.398 local terms energy: -527.078129 where: bonds (distance) C4'-P energy: -125.794 bonds (distance) P-C4' energy: -118.390 flat angles C4'-P-C4' energy: -151.483 flat angles P-C4'-P energy: -84.896 tors. eta vs tors. theta energy: -46.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -3202.374562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3202.374562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3202.374562 (E_RNA) where: Base-Base interactions energy: -2239.368 where: short stacking energy: -960.984 Base-Backbone interact. energy: -2.375 local terms energy: -960.631461 where: bonds (distance) C4'-P energy: -175.221 bonds (distance) P-C4' energy: -169.884 flat angles C4'-P-C4' energy: -204.191 flat angles P-C4'-P energy: -134.523 tors. eta vs tors. theta energy: -276.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -3116.686181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.686181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.686181 (E_RNA) where: Base-Base interactions energy: -2215.746 where: short stacking energy: -950.617 Base-Backbone interact. energy: -4.213 local terms energy: -896.726503 where: bonds (distance) C4'-P energy: -164.313 bonds (distance) P-C4' energy: -147.561 flat angles C4'-P-C4' energy: -182.482 flat angles P-C4'-P energy: -137.880 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: 3, replica: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -2929.516336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.516336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.516336 (E_RNA) where: Base-Base interactions energy: -2054.807 where: short stacking energy: -863.644 Base-Backbone interact. energy: 2.952 local terms energy: -877.661568 where: bonds (distance) C4'-P energy: -174.765 bonds (distance) P-C4' energy: -167.478 flat angles C4'-P-C4' energy: -188.342 flat angles P-C4'-P energy: -123.420 tors. eta vs tors. theta energy: -223.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -2786.721889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.721889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.721889 (E_RNA) where: Base-Base interactions energy: -1967.974 where: short stacking energy: -807.215 Base-Backbone interact. energy: -5.448 local terms energy: -813.299282 where: bonds (distance) C4'-P energy: -141.900 bonds (distance) P-C4' energy: -165.882 flat angles C4'-P-C4' energy: -174.074 flat angles P-C4'-P energy: -119.162 tors. eta vs tors. theta energy: -212.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -2702.403087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.403087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.403087 (E_RNA) where: Base-Base interactions energy: -1866.009 where: short stacking energy: -765.729 Base-Backbone interact. energy: -0.659 local terms energy: -835.735517 where: bonds (distance) C4'-P energy: -147.433 bonds (distance) P-C4' energy: -164.406 flat angles C4'-P-C4' energy: -180.795 flat angles P-C4'-P energy: -125.920 tors. eta vs tors. theta energy: -217.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -2637.531013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.531013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.531013 (E_RNA) where: Base-Base interactions energy: -1812.714 where: short stacking energy: -807.730 Base-Backbone interact. energy: 4.621 local terms energy: -829.437232 where: bonds (distance) C4'-P energy: -154.294 bonds (distance) P-C4' energy: -163.450 flat angles C4'-P-C4' energy: -178.042 flat angles P-C4'-P energy: -101.261 tors. eta vs tors. theta energy: -232.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -2296.316039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2296.316039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2296.316039 (E_RNA) where: Base-Base interactions energy: -1560.916 where: short stacking energy: -677.337 Base-Backbone interact. energy: -2.916 local terms energy: -732.483596 where: bonds (distance) C4'-P energy: -151.279 bonds (distance) P-C4' energy: -150.548 flat angles C4'-P-C4' energy: -161.766 flat angles P-C4'-P energy: -94.079 tors. eta vs tors. theta energy: -174.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1940.540096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1940.540096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1940.540096 (E_RNA) where: Base-Base interactions energy: -1311.262 where: short stacking energy: -575.461 Base-Backbone interact. energy: 5.640 local terms energy: -634.918259 where: bonds (distance) C4'-P energy: -148.662 bonds (distance) P-C4' energy: -135.909 flat angles C4'-P-C4' energy: -154.475 flat angles P-C4'-P energy: -78.833 tors. eta vs tors. theta energy: -117.040 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: 3 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -1806.874179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.874179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.874179 (E_RNA) where: Base-Base interactions energy: -1189.932 where: short stacking energy: -527.656 Base-Backbone interact. energy: 6.178 local terms energy: -623.120691 where: bonds (distance) C4'-P energy: -143.336 bonds (distance) P-C4' energy: -145.853 flat angles C4'-P-C4' energy: -138.664 flat angles P-C4'-P energy: -99.945 tors. eta vs tors. theta energy: -95.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -1252.290861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.290861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.290861 (E_RNA) where: Base-Base interactions energy: -758.030 where: short stacking energy: -361.487 Base-Backbone interact. energy: -0.028 local terms energy: -494.233487 where: bonds (distance) C4'-P energy: -138.004 bonds (distance) P-C4' energy: -143.248 flat angles C4'-P-C4' energy: -115.949 flat angles P-C4'-P energy: -67.299 tors. eta vs tors. theta energy: -29.734 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: 2 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -3197.014240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.014240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.014240 (E_RNA) where: Base-Base interactions energy: -2235.245 where: short stacking energy: -939.284 Base-Backbone interact. energy: -2.002 local terms energy: -959.767617 where: bonds (distance) C4'-P energy: -169.252 bonds (distance) P-C4' energy: -187.594 flat angles C4'-P-C4' energy: -211.654 flat angles P-C4'-P energy: -124.820 tors. eta vs tors. theta energy: -266.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -3097.471248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.471248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.471248 (E_RNA) where: Base-Base interactions energy: -2156.843 where: short stacking energy: -928.224 Base-Backbone interact. energy: -5.063 local terms energy: -935.565251 where: bonds (distance) C4'-P energy: -167.212 bonds (distance) P-C4' energy: -175.539 flat angles C4'-P-C4' energy: -195.763 flat angles P-C4'-P energy: -137.097 tors. eta vs tors. theta energy: -259.955 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: 3, replica: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -2933.510588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.510588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.510588 (E_RNA) where: Base-Base interactions energy: -2002.543 where: short stacking energy: -848.762 Base-Backbone interact. energy: 0.121 local terms energy: -931.088746 where: bonds (distance) C4'-P energy: -188.783 bonds (distance) P-C4' energy: -173.487 flat angles C4'-P-C4' energy: -194.278 flat angles P-C4'-P energy: -133.622 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: 10 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -2796.282775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.282775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.282775 (E_RNA) where: Base-Base interactions energy: -1970.671 where: short stacking energy: -805.427 Base-Backbone interact. energy: -1.746 local terms energy: -823.865853 where: bonds (distance) C4'-P energy: -162.485 bonds (distance) P-C4' energy: -169.399 flat angles C4'-P-C4' energy: -176.666 flat angles P-C4'-P energy: -100.455 tors. eta vs tors. theta energy: -214.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -2673.457937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2673.457937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2673.457937 (E_RNA) where: Base-Base interactions energy: -1835.830 where: short stacking energy: -830.242 Base-Backbone interact. energy: -0.771 local terms energy: -836.857197 where: bonds (distance) C4'-P energy: -156.694 bonds (distance) P-C4' energy: -160.033 flat angles C4'-P-C4' energy: -172.333 flat angles P-C4'-P energy: -115.314 tors. eta vs tors. theta energy: -232.483 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: 4 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -2587.771296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.771296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.771296 (E_RNA) where: Base-Base interactions energy: -1793.014 where: short stacking energy: -745.170 Base-Backbone interact. energy: 3.810 local terms energy: -798.567146 where: bonds (distance) C4'-P energy: -152.019 bonds (distance) P-C4' energy: -150.079 flat angles C4'-P-C4' energy: -174.873 flat angles P-C4'-P energy: -115.810 tors. eta vs tors. theta energy: -205.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -2314.178499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2314.178499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2314.178499 (E_RNA) where: Base-Base interactions energy: -1572.412 where: short stacking energy: -677.502 Base-Backbone interact. energy: -1.293 local terms energy: -740.473423 where: bonds (distance) C4'-P energy: -138.353 bonds (distance) P-C4' energy: -147.106 flat angles C4'-P-C4' energy: -161.472 flat angles P-C4'-P energy: -108.834 tors. eta vs tors. theta energy: -184.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1980.385447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.385447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.385447 (E_RNA) where: Base-Base interactions energy: -1340.536 where: short stacking energy: -565.070 Base-Backbone interact. energy: 1.143 local terms energy: -640.992416 where: bonds (distance) C4'-P energy: -128.871 bonds (distance) P-C4' energy: -142.810 flat angles C4'-P-C4' energy: -149.511 flat angles P-C4'-P energy: -109.057 tors. eta vs tors. theta energy: -110.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -1798.715587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.715587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.715587 (E_RNA) where: Base-Base interactions energy: -1175.559 where: short stacking energy: -517.293 Base-Backbone interact. energy: 0.886 local terms energy: -624.042216 where: bonds (distance) C4'-P energy: -137.837 bonds (distance) P-C4' energy: -142.801 flat angles C4'-P-C4' energy: -132.514 flat angles P-C4'-P energy: -98.110 tors. eta vs tors. theta energy: -112.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -1320.425373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.425373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.425373 (E_RNA) where: Base-Base interactions energy: -772.391 where: short stacking energy: -366.972 Base-Backbone interact. energy: 3.075 local terms energy: -551.109326 where: bonds (distance) C4'-P energy: -141.996 bonds (distance) P-C4' energy: -157.775 flat angles C4'-P-C4' energy: -134.577 flat angles P-C4'-P energy: -90.988 tors. eta vs tors. theta energy: -25.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -3232.182429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.182429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.182429 (E_RNA) where: Base-Base interactions energy: -2248.570 where: short stacking energy: -933.386 Base-Backbone interact. energy: -2.285 local terms energy: -981.326870 where: bonds (distance) C4'-P energy: -184.457 bonds (distance) P-C4' energy: -186.406 flat angles C4'-P-C4' energy: -207.441 flat angles P-C4'-P energy: -136.406 tors. eta vs tors. theta energy: -266.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -3129.155652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.155652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.155652 (E_RNA) where: Base-Base interactions energy: -2209.969 where: short stacking energy: -935.179 Base-Backbone interact. energy: -1.563 local terms energy: -917.624015 where: bonds (distance) C4'-P energy: -170.716 bonds (distance) P-C4' energy: -170.425 flat angles C4'-P-C4' energy: -200.554 flat angles P-C4'-P energy: -115.792 tors. eta vs tors. theta energy: -260.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -2923.411013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2923.411013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2923.411013 (E_RNA) where: Base-Base interactions energy: -2038.905 where: short stacking energy: -834.767 Base-Backbone interact. energy: -2.838 local terms energy: -881.667819 where: bonds (distance) C4'-P energy: -157.014 bonds (distance) P-C4' energy: -173.499 flat angles C4'-P-C4' energy: -193.807 flat angles P-C4'-P energy: -128.343 tors. eta vs tors. theta energy: -229.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -2831.578164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.578164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.578164 (E_RNA) where: Base-Base interactions energy: -1969.866 where: short stacking energy: -814.520 Base-Backbone interact. energy: -4.984 local terms energy: -856.728618 where: bonds (distance) C4'-P energy: -159.094 bonds (distance) P-C4' energy: -164.354 flat angles C4'-P-C4' energy: -189.899 flat angles P-C4'-P energy: -118.357 tors. eta vs tors. theta energy: -225.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -2656.000448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.000448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.000448 (E_RNA) where: Base-Base interactions energy: -1815.219 where: short stacking energy: -814.902 Base-Backbone interact. energy: -1.430 local terms energy: -839.351172 where: bonds (distance) C4'-P energy: -161.829 bonds (distance) P-C4' energy: -156.235 flat angles C4'-P-C4' energy: -184.955 flat angles P-C4'-P energy: -117.997 tors. eta vs tors. theta energy: -218.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -2548.464462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.464462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.464462 (E_RNA) where: Base-Base interactions energy: -1749.975 where: short stacking energy: -740.902 Base-Backbone interact. energy: 3.787 local terms energy: -802.276717 where: bonds (distance) C4'-P energy: -149.644 bonds (distance) P-C4' energy: -159.019 flat angles C4'-P-C4' energy: -181.815 flat angles P-C4'-P energy: -112.226 tors. eta vs tors. theta energy: -199.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -2339.999220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.999220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.999220 (E_RNA) where: Base-Base interactions energy: -1537.256 where: short stacking energy: -656.495 Base-Backbone interact. energy: 0.861 local terms energy: -803.604232 where: bonds (distance) C4'-P energy: -164.905 bonds (distance) P-C4' energy: -169.164 flat angles C4'-P-C4' energy: -178.924 flat angles P-C4'-P energy: -123.275 tors. eta vs tors. theta energy: -167.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -2040.654015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.654015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.654015 (E_RNA) where: Base-Base interactions energy: -1402.607 where: short stacking energy: -592.669 Base-Backbone interact. energy: 0.086 local terms energy: -638.133356 where: bonds (distance) C4'-P energy: -117.741 bonds (distance) P-C4' energy: -155.327 flat angles C4'-P-C4' energy: -159.166 flat angles P-C4'-P energy: -82.857 tors. eta vs tors. theta energy: -123.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -1800.343693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.343693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.343693 (E_RNA) where: Base-Base interactions energy: -1146.544 where: short stacking energy: -528.793 Base-Backbone interact. energy: -2.748 local terms energy: -651.051925 where: bonds (distance) C4'-P energy: -147.513 bonds (distance) P-C4' energy: -161.802 flat angles C4'-P-C4' energy: -153.794 flat angles P-C4'-P energy: -87.392 tors. eta vs tors. theta energy: -100.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -1310.118144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.118144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.118144 (E_RNA) where: Base-Base interactions energy: -819.128 where: short stacking energy: -406.151 Base-Backbone interact. energy: -2.485 local terms energy: -488.504670 where: bonds (distance) C4'-P energy: -139.165 bonds (distance) P-C4' energy: -143.583 flat angles C4'-P-C4' energy: -113.437 flat angles P-C4'-P energy: -58.635 tors. eta vs tors. theta energy: -33.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -3247.159863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.159863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.159863 (E_RNA) where: Base-Base interactions energy: -2267.146 where: short stacking energy: -937.965 Base-Backbone interact. energy: -5.550 local terms energy: -974.463350 where: bonds (distance) C4'-P energy: -169.366 bonds (distance) P-C4' energy: -179.103 flat angles C4'-P-C4' energy: -204.055 flat angles P-C4'-P energy: -143.480 tors. eta vs tors. theta energy: -278.460 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: 2, replica: 7 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -3080.867410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.867410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.867410 (E_RNA) where: Base-Base interactions energy: -2141.554 where: short stacking energy: -881.349 Base-Backbone interact. energy: 4.957 local terms energy: -944.269631 where: bonds (distance) C4'-P energy: -176.745 bonds (distance) P-C4' energy: -177.004 flat angles C4'-P-C4' energy: -202.810 flat angles P-C4'-P energy: -132.519 tors. eta vs tors. theta energy: -255.191 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: 3, replica: 8 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -2916.891640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.891640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.891640 (E_RNA) where: Base-Base interactions energy: -2038.256 where: short stacking energy: -829.190 Base-Backbone interact. energy: -3.545 local terms energy: -875.091050 where: bonds (distance) C4'-P energy: -165.040 bonds (distance) P-C4' energy: -186.605 flat angles C4'-P-C4' energy: -195.287 flat angles P-C4'-P energy: -114.242 tors. eta vs tors. theta energy: -213.917 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: 10 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -2835.332439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.332439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.332439 (E_RNA) where: Base-Base interactions energy: -1982.398 where: short stacking energy: -834.023 Base-Backbone interact. energy: -2.327 local terms energy: -850.607472 where: bonds (distance) C4'-P energy: -158.408 bonds (distance) P-C4' energy: -170.016 flat angles C4'-P-C4' energy: -189.007 flat angles P-C4'-P energy: -122.909 tors. eta vs tors. theta energy: -210.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -2641.201059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.201059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.201059 (E_RNA) where: Base-Base interactions energy: -1819.553 where: short stacking energy: -786.580 Base-Backbone interact. energy: -2.090 local terms energy: -819.558116 where: bonds (distance) C4'-P energy: -141.784 bonds (distance) P-C4' energy: -162.461 flat angles C4'-P-C4' energy: -186.121 flat angles P-C4'-P energy: -111.169 tors. eta vs tors. theta energy: -218.023 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: 4 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -2553.980616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.980616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.980616 (E_RNA) where: Base-Base interactions energy: -1736.320 where: short stacking energy: -722.217 Base-Backbone interact. energy: -4.879 local terms energy: -812.781384 where: bonds (distance) C4'-P energy: -159.304 bonds (distance) P-C4' energy: -164.803 flat angles C4'-P-C4' energy: -179.417 flat angles P-C4'-P energy: -116.772 tors. eta vs tors. theta energy: -192.484 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: 6 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -2272.238092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.238092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.238092 (E_RNA) where: Base-Base interactions energy: -1534.805 where: short stacking energy: -668.113 Base-Backbone interact. energy: 5.458 local terms energy: -742.891327 where: bonds (distance) C4'-P energy: -145.568 bonds (distance) P-C4' energy: -152.549 flat angles C4'-P-C4' energy: -174.999 flat angles P-C4'-P energy: -92.691 tors. eta vs tors. theta energy: -177.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -2058.291986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.291986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.291986 (E_RNA) where: Base-Base interactions energy: -1424.658 where: short stacking energy: -610.839 Base-Backbone interact. energy: 5.810 local terms energy: -639.443662 where: bonds (distance) C4'-P energy: -140.552 bonds (distance) P-C4' energy: -126.801 flat angles C4'-P-C4' energy: -145.167 flat angles P-C4'-P energy: -99.051 tors. eta vs tors. theta energy: -127.873 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: 3 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -1734.495174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.495174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.495174 (E_RNA) where: Base-Base interactions energy: -1145.656 where: short stacking energy: -530.083 Base-Backbone interact. energy: -1.139 local terms energy: -587.700793 where: bonds (distance) C4'-P energy: -128.778 bonds (distance) P-C4' energy: -132.575 flat angles C4'-P-C4' energy: -152.737 flat angles P-C4'-P energy: -88.357 tors. eta vs tors. theta energy: -85.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -1328.395437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.395437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.395437 (E_RNA) where: Base-Base interactions energy: -796.583 where: short stacking energy: -366.707 Base-Backbone interact. energy: -0.842 local terms energy: -530.969806 where: bonds (distance) C4'-P energy: -130.788 bonds (distance) P-C4' energy: -155.385 flat angles C4'-P-C4' energy: -130.195 flat angles P-C4'-P energy: -66.248 tors. eta vs tors. theta energy: -48.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -3255.003314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3255.003314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3255.003314 (E_RNA) where: Base-Base interactions energy: -2269.278 where: short stacking energy: -939.789 Base-Backbone interact. energy: -4.203 local terms energy: -981.521926 where: bonds (distance) C4'-P energy: -178.437 bonds (distance) P-C4' energy: -177.559 flat angles C4'-P-C4' energy: -214.406 flat angles P-C4'-P energy: -135.776 tors. eta vs tors. theta energy: -275.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -3067.424564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.424564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.424564 (E_RNA) where: Base-Base interactions energy: -2138.320 where: short stacking energy: -878.694 Base-Backbone interact. energy: -1.226 local terms energy: -927.877833 where: bonds (distance) C4'-P energy: -175.403 bonds (distance) P-C4' energy: -166.180 flat angles C4'-P-C4' energy: -201.821 flat angles P-C4'-P energy: -134.878 tors. eta vs tors. theta energy: -249.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -2909.514111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.514111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.514111 (E_RNA) where: Base-Base interactions energy: -2020.423 where: short stacking energy: -862.234 Base-Backbone interact. energy: 2.927 local terms energy: -892.018529 where: bonds (distance) C4'-P energy: -171.580 bonds (distance) P-C4' energy: -177.708 flat angles C4'-P-C4' energy: -191.506 flat angles P-C4'-P energy: -119.447 tors. eta vs tors. theta energy: -231.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -2804.403155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.403155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.403155 (E_RNA) where: Base-Base interactions energy: -1944.791 where: short stacking energy: -807.342 Base-Backbone interact. energy: -1.522 local terms energy: -858.089743 where: bonds (distance) C4'-P energy: -169.182 bonds (distance) P-C4' energy: -171.825 flat angles C4'-P-C4' energy: -191.273 flat angles P-C4'-P energy: -101.663 tors. eta vs tors. theta energy: -224.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -2625.604148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.604148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.604148 (E_RNA) where: Base-Base interactions energy: -1781.139 where: short stacking energy: -793.948 Base-Backbone interact. energy: 0.290 local terms energy: -844.755505 where: bonds (distance) C4'-P energy: -154.672 bonds (distance) P-C4' energy: -162.238 flat angles C4'-P-C4' energy: -185.514 flat angles P-C4'-P energy: -119.716 tors. eta vs tors. theta energy: -222.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -2586.396812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2586.396812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2586.396812 (E_RNA) where: Base-Base interactions energy: -1778.116 where: short stacking energy: -740.688 Base-Backbone interact. energy: 2.789 local terms energy: -811.070301 where: bonds (distance) C4'-P energy: -169.132 bonds (distance) P-C4' energy: -151.413 flat angles C4'-P-C4' energy: -187.753 flat angles P-C4'-P energy: -101.680 tors. eta vs tors. theta energy: -201.092 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: 6 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -2268.916251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2268.916251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2268.916251 (E_RNA) where: Base-Base interactions energy: -1517.962 where: short stacking energy: -660.316 Base-Backbone interact. energy: -1.702 local terms energy: -749.253022 where: bonds (distance) C4'-P energy: -160.854 bonds (distance) P-C4' energy: -148.445 flat angles C4'-P-C4' energy: -154.781 flat angles P-C4'-P energy: -123.815 tors. eta vs tors. theta energy: -161.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -2015.461271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.461271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.461271 (E_RNA) where: Base-Base interactions energy: -1346.687 where: short stacking energy: -565.916 Base-Backbone interact. energy: -3.464 local terms energy: -665.309960 where: bonds (distance) C4'-P energy: -144.289 bonds (distance) P-C4' energy: -122.833 flat angles C4'-P-C4' energy: -169.427 flat angles P-C4'-P energy: -103.353 tors. eta vs tors. theta energy: -125.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -1846.926969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.926969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.926969 (E_RNA) where: Base-Base interactions energy: -1202.017 where: short stacking energy: -535.224 Base-Backbone interact. energy: -3.263 local terms energy: -641.646803 where: bonds (distance) C4'-P energy: -122.348 bonds (distance) P-C4' energy: -143.014 flat angles C4'-P-C4' energy: -153.744 flat angles P-C4'-P energy: -109.183 tors. eta vs tors. theta energy: -113.358 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: 5 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -1332.658245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.658245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.658245 (E_RNA) where: Base-Base interactions energy: -785.022 where: short stacking energy: -401.381 Base-Backbone interact. energy: 0.631 local terms energy: -548.267737 where: bonds (distance) C4'-P energy: -135.731 bonds (distance) P-C4' energy: -130.656 flat angles C4'-P-C4' energy: -154.376 flat angles P-C4'-P energy: -86.181 tors. eta vs tors. theta energy: -41.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -3262.299195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3262.299195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3262.299195 (E_RNA) where: Base-Base interactions energy: -2298.287 where: short stacking energy: -944.646 Base-Backbone interact. energy: -4.923 local terms energy: -959.089323 where: bonds (distance) C4'-P energy: -171.356 bonds (distance) P-C4' energy: -174.256 flat angles C4'-P-C4' energy: -213.618 flat angles P-C4'-P energy: -128.289 tors. eta vs tors. theta energy: -271.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -3089.785151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.785151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.785151 (E_RNA) where: Base-Base interactions energy: -2159.963 where: short stacking energy: -920.820 Base-Backbone interact. energy: -2.917 local terms energy: -926.905120 where: bonds (distance) C4'-P energy: -173.955 bonds (distance) P-C4' energy: -164.777 flat angles C4'-P-C4' energy: -194.618 flat angles P-C4'-P energy: -132.830 tors. eta vs tors. theta energy: -260.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -2944.597825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2944.597825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2944.597825 (E_RNA) where: Base-Base interactions energy: -2034.581 where: short stacking energy: -852.755 Base-Backbone interact. energy: -0.839 local terms energy: -909.177667 where: bonds (distance) C4'-P energy: -172.830 bonds (distance) P-C4' energy: -179.300 flat angles C4'-P-C4' energy: -191.985 flat angles P-C4'-P energy: -134.108 tors. eta vs tors. theta energy: -230.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -2778.291909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.291909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.291909 (E_RNA) where: Base-Base interactions energy: -1923.464 where: short stacking energy: -798.951 Base-Backbone interact. energy: -2.523 local terms energy: -852.305031 where: bonds (distance) C4'-P energy: -150.029 bonds (distance) P-C4' energy: -164.762 flat angles C4'-P-C4' energy: -191.239 flat angles P-C4'-P energy: -121.560 tors. eta vs tors. theta energy: -224.715 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: 1 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -2651.581833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.581833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.581833 (E_RNA) where: Base-Base interactions energy: -1817.198 where: short stacking energy: -787.018 Base-Backbone interact. energy: 0.990 local terms energy: -835.374162 where: bonds (distance) C4'-P energy: -164.604 bonds (distance) P-C4' energy: -152.565 flat angles C4'-P-C4' energy: -185.258 flat angles P-C4'-P energy: -116.265 tors. eta vs tors. theta energy: -216.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -2495.698437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.698437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.698437 (E_RNA) where: Base-Base interactions energy: -1709.737 where: short stacking energy: -717.473 Base-Backbone interact. energy: 9.886 local terms energy: -795.847770 where: bonds (distance) C4'-P energy: -148.076 bonds (distance) P-C4' energy: -162.604 flat angles C4'-P-C4' energy: -182.086 flat angles P-C4'-P energy: -97.462 tors. eta vs tors. theta energy: -205.620 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: 6 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -2277.541026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.541026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.541026 (E_RNA) where: Base-Base interactions energy: -1517.061 where: short stacking energy: -668.883 Base-Backbone interact. energy: 0.460 local terms energy: -760.939245 where: bonds (distance) C4'-P energy: -141.899 bonds (distance) P-C4' energy: -165.765 flat angles C4'-P-C4' energy: -169.681 flat angles P-C4'-P energy: -118.666 tors. eta vs tors. theta energy: -164.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -2079.080259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2079.080259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2079.080259 (E_RNA) where: Base-Base interactions energy: -1421.572 where: short stacking energy: -611.544 Base-Backbone interact. energy: 0.596 local terms energy: -658.104510 where: bonds (distance) C4'-P energy: -122.691 bonds (distance) P-C4' energy: -163.368 flat angles C4'-P-C4' energy: -162.433 flat angles P-C4'-P energy: -83.014 tors. eta vs tors. theta energy: -126.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -1866.400581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.400581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.400581 (E_RNA) where: Base-Base interactions energy: -1247.780 where: short stacking energy: -588.249 Base-Backbone interact. energy: 1.246 local terms energy: -619.866088 where: bonds (distance) C4'-P energy: -125.263 bonds (distance) P-C4' energy: -135.681 flat angles C4'-P-C4' energy: -154.655 flat angles P-C4'-P energy: -76.443 tors. eta vs tors. theta energy: -127.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -1354.904167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.904167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.904167 (E_RNA) where: Base-Base interactions energy: -819.399 where: short stacking energy: -395.114 Base-Backbone interact. energy: -1.281 local terms energy: -534.224477 where: bonds (distance) C4'-P energy: -132.614 bonds (distance) P-C4' energy: -133.114 flat angles C4'-P-C4' energy: -122.255 flat angles P-C4'-P energy: -95.450 tors. eta vs tors. theta energy: -50.793 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: 2 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -3248.277793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3248.277793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3248.277793 (E_RNA) where: Base-Base interactions energy: -2279.198 where: short stacking energy: -939.651 Base-Backbone interact. energy: -4.684 local terms energy: -964.395326 where: bonds (distance) C4'-P energy: -172.562 bonds (distance) P-C4' energy: -172.126 flat angles C4'-P-C4' energy: -203.868 flat angles P-C4'-P energy: -147.772 tors. eta vs tors. theta energy: -268.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -3103.452881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.452881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.452881 (E_RNA) where: Base-Base interactions energy: -2159.990 where: short stacking energy: -903.119 Base-Backbone interact. energy: -5.424 local terms energy: -938.039175 where: bonds (distance) C4'-P energy: -165.533 bonds (distance) P-C4' energy: -169.929 flat angles C4'-P-C4' energy: -193.184 flat angles P-C4'-P energy: -143.411 tors. eta vs tors. theta energy: -265.982 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: 3, replica: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -2977.743213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.743213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.743213 (E_RNA) where: Base-Base interactions energy: -2071.953 where: short stacking energy: -874.061 Base-Backbone interact. energy: -1.228 local terms energy: -904.562288 where: bonds (distance) C4'-P energy: -171.241 bonds (distance) P-C4' energy: -175.978 flat angles C4'-P-C4' energy: -190.196 flat angles P-C4'-P energy: -128.567 tors. eta vs tors. theta energy: -238.580 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: 4, replica: 10 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -2773.724251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.724251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.724251 (E_RNA) where: Base-Base interactions energy: -1927.993 where: short stacking energy: -834.234 Base-Backbone interact. energy: -0.608 local terms energy: -845.122875 where: bonds (distance) C4'-P energy: -150.060 bonds (distance) P-C4' energy: -172.159 flat angles C4'-P-C4' energy: -186.137 flat angles P-C4'-P energy: -117.784 tors. eta vs tors. theta energy: -218.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -2643.008850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.008850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.008850 (E_RNA) where: Base-Base interactions energy: -1807.129 where: short stacking energy: -777.090 Base-Backbone interact. energy: 0.229 local terms energy: -836.108353 where: bonds (distance) C4'-P energy: -163.620 bonds (distance) P-C4' energy: -158.315 flat angles C4'-P-C4' energy: -180.218 flat angles P-C4'-P energy: -114.487 tors. eta vs tors. theta energy: -219.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -2574.760689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.760689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.760689 (E_RNA) where: Base-Base interactions energy: -1804.461 where: short stacking energy: -750.826 Base-Backbone interact. energy: -3.076 local terms energy: -767.223652 where: bonds (distance) C4'-P energy: -158.625 bonds (distance) P-C4' energy: -142.043 flat angles C4'-P-C4' energy: -172.859 flat angles P-C4'-P energy: -99.538 tors. eta vs tors. theta energy: -194.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -2271.352141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2271.352141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2271.352141 (E_RNA) where: Base-Base interactions energy: -1567.020 where: short stacking energy: -685.766 Base-Backbone interact. energy: -0.927 local terms energy: -703.404657 where: bonds (distance) C4'-P energy: -139.901 bonds (distance) P-C4' energy: -148.412 flat angles C4'-P-C4' energy: -159.309 flat angles P-C4'-P energy: -96.651 tors. eta vs tors. theta energy: -159.132 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: 9 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -2094.516456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2094.516456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2094.516456 (E_RNA) where: Base-Base interactions energy: -1393.165 where: short stacking energy: -571.949 Base-Backbone interact. energy: -1.174 local terms energy: -700.176772 where: bonds (distance) C4'-P energy: -150.623 bonds (distance) P-C4' energy: -163.650 flat angles C4'-P-C4' energy: -151.372 flat angles P-C4'-P energy: -106.699 tors. eta vs tors. theta energy: -127.834 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: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -1936.286648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1936.286648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1936.286648 (E_RNA) where: Base-Base interactions energy: -1261.277 where: short stacking energy: -563.792 Base-Backbone interact. energy: -1.804 local terms energy: -673.205971 where: bonds (distance) C4'-P energy: -158.583 bonds (distance) P-C4' energy: -144.382 flat angles C4'-P-C4' energy: -161.370 flat angles P-C4'-P energy: -89.449 tors. eta vs tors. theta energy: -119.421 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: 5 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -1355.139639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.139639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.139639 (E_RNA) where: Base-Base interactions energy: -830.593 where: short stacking energy: -434.489 Base-Backbone interact. energy: 3.076 local terms energy: -527.622377 where: bonds (distance) C4'-P energy: -144.157 bonds (distance) P-C4' energy: -136.562 flat angles C4'-P-C4' energy: -128.590 flat angles P-C4'-P energy: -76.217 tors. eta vs tors. theta energy: -42.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -3204.092293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3204.092293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3204.092293 (E_RNA) where: Base-Base interactions energy: -2210.046 where: short stacking energy: -927.616 Base-Backbone interact. energy: -4.747 local terms energy: -989.298696 where: bonds (distance) C4'-P energy: -192.104 bonds (distance) P-C4' energy: -173.620 flat angles C4'-P-C4' energy: -208.233 flat angles P-C4'-P energy: -146.638 tors. eta vs tors. theta energy: -268.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -3087.207510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.207510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.207510 (E_RNA) where: Base-Base interactions energy: -2191.911 where: short stacking energy: -929.267 Base-Backbone interact. energy: -1.843 local terms energy: -893.453336 where: bonds (distance) C4'-P energy: -170.353 bonds (distance) P-C4' energy: -162.453 flat angles C4'-P-C4' energy: -182.497 flat angles P-C4'-P energy: -109.395 tors. eta vs tors. theta energy: -268.755 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: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -2943.765756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.765756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.765756 (E_RNA) where: Base-Base interactions energy: -2067.195 where: short stacking energy: -863.785 Base-Backbone interact. energy: -1.742 local terms energy: -874.828912 where: bonds (distance) C4'-P energy: -176.404 bonds (distance) P-C4' energy: -139.629 flat angles C4'-P-C4' energy: -204.573 flat angles P-C4'-P energy: -128.246 tors. eta vs tors. theta energy: -225.977 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: 10 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -2845.368711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.368711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.368711 (E_RNA) where: Base-Base interactions energy: -1985.641 where: short stacking energy: -809.284 Base-Backbone interact. energy: 0.695 local terms energy: -860.422637 where: bonds (distance) C4'-P energy: -166.277 bonds (distance) P-C4' energy: -160.603 flat angles C4'-P-C4' energy: -198.518 flat angles P-C4'-P energy: -127.176 tors. eta vs tors. theta energy: -207.848 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: 1 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -2705.570112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.570112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.570112 (E_RNA) where: Base-Base interactions energy: -1874.091 where: short stacking energy: -831.887 Base-Backbone interact. energy: -0.448 local terms energy: -831.031957 where: bonds (distance) C4'-P energy: -160.243 bonds (distance) P-C4' energy: -140.793 flat angles C4'-P-C4' energy: -185.860 flat angles P-C4'-P energy: -115.608 tors. eta vs tors. theta energy: -228.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -2551.633631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2551.633631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2551.633631 (E_RNA) where: Base-Base interactions energy: -1774.028 where: short stacking energy: -734.680 Base-Backbone interact. energy: -0.068 local terms energy: -777.537376 where: bonds (distance) C4'-P energy: -151.053 bonds (distance) P-C4' energy: -151.725 flat angles C4'-P-C4' energy: -158.627 flat angles P-C4'-P energy: -122.303 tors. eta vs tors. theta energy: -193.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -2274.864868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2274.864868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2274.864868 (E_RNA) where: Base-Base interactions energy: -1526.459 where: short stacking energy: -687.374 Base-Backbone interact. energy: -5.364 local terms energy: -743.041199 where: bonds (distance) C4'-P energy: -158.205 bonds (distance) P-C4' energy: -141.038 flat angles C4'-P-C4' energy: -155.052 flat angles P-C4'-P energy: -121.337 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: 8, replica: 9 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -2058.708811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.708811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.708811 (E_RNA) where: Base-Base interactions energy: -1349.783 where: short stacking energy: -599.494 Base-Backbone interact. energy: -3.319 local terms energy: -705.606871 where: bonds (distance) C4'-P energy: -141.452 bonds (distance) P-C4' energy: -161.496 flat angles C4'-P-C4' energy: -163.790 flat angles P-C4'-P energy: -100.265 tors. eta vs tors. theta energy: -138.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -1950.631289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.631289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.631289 (E_RNA) where: Base-Base interactions energy: -1269.355 where: short stacking energy: -578.466 Base-Backbone interact. energy: -0.302 local terms energy: -680.974345 where: bonds (distance) C4'-P energy: -152.635 bonds (distance) P-C4' energy: -144.674 flat angles C4'-P-C4' energy: -162.213 flat angles P-C4'-P energy: -93.354 tors. eta vs tors. theta energy: -128.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -1308.784058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.784058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.784058 (E_RNA) where: Base-Base interactions energy: -791.929 where: short stacking energy: -358.079 Base-Backbone interact. energy: -2.659 local terms energy: -514.196284 where: bonds (distance) C4'-P energy: -128.085 bonds (distance) P-C4' energy: -141.029 flat angles C4'-P-C4' energy: -134.602 flat angles P-C4'-P energy: -77.720 tors. eta vs tors. theta energy: -32.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -3234.412231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.412231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.412231 (E_RNA) where: Base-Base interactions energy: -2235.513 where: short stacking energy: -947.438 Base-Backbone interact. energy: -4.118 local terms energy: -994.781410 where: bonds (distance) C4'-P energy: -193.164 bonds (distance) P-C4' energy: -182.060 flat angles C4'-P-C4' energy: -209.763 flat angles P-C4'-P energy: -127.529 tors. eta vs tors. theta energy: -282.265 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: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -3116.399146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.399146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.399146 (E_RNA) where: Base-Base interactions energy: -2171.092 where: short stacking energy: -924.421 Base-Backbone interact. energy: 0.532 local terms energy: -945.839039 where: bonds (distance) C4'-P energy: -168.157 bonds (distance) P-C4' energy: -183.622 flat angles C4'-P-C4' energy: -207.240 flat angles P-C4'-P energy: -122.541 tors. eta vs tors. theta energy: -264.279 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: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -2905.683273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.683273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.683273 (E_RNA) where: Base-Base interactions energy: -1977.607 where: short stacking energy: -844.391 Base-Backbone interact. energy: -6.644 local terms energy: -921.431759 where: bonds (distance) C4'-P energy: -173.467 bonds (distance) P-C4' energy: -182.074 flat angles C4'-P-C4' energy: -210.065 flat angles P-C4'-P energy: -126.243 tors. eta vs tors. theta energy: -229.583 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: 10 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -2825.954653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.954653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.954653 (E_RNA) where: Base-Base interactions energy: -1983.567 where: short stacking energy: -833.876 Base-Backbone interact. energy: -3.874 local terms energy: -838.513469 where: bonds (distance) C4'-P energy: -140.919 bonds (distance) P-C4' energy: -159.973 flat angles C4'-P-C4' energy: -190.724 flat angles P-C4'-P energy: -119.244 tors. eta vs tors. theta energy: -227.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -2702.131968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.131968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.131968 (E_RNA) where: Base-Base interactions energy: -1862.449 where: short stacking energy: -816.073 Base-Backbone interact. energy: 1.086 local terms energy: -840.768428 where: bonds (distance) C4'-P energy: -131.078 bonds (distance) P-C4' energy: -176.291 flat angles C4'-P-C4' energy: -194.373 flat angles P-C4'-P energy: -126.410 tors. eta vs tors. theta energy: -212.616 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: 4 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -2557.047902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.047902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.047902 (E_RNA) where: Base-Base interactions energy: -1762.350 where: short stacking energy: -755.336 Base-Backbone interact. energy: -1.929 local terms energy: -792.768889 where: bonds (distance) C4'-P energy: -150.533 bonds (distance) P-C4' energy: -167.763 flat angles C4'-P-C4' energy: -162.964 flat angles P-C4'-P energy: -112.656 tors. eta vs tors. theta energy: -198.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -2207.078671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.078671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.078671 (E_RNA) where: Base-Base interactions energy: -1478.926 where: short stacking energy: -661.699 Base-Backbone interact. energy: 1.637 local terms energy: -729.789806 where: bonds (distance) C4'-P energy: -149.934 bonds (distance) P-C4' energy: -141.558 flat angles C4'-P-C4' energy: -172.688 flat angles P-C4'-P energy: -111.764 tors. eta vs tors. theta energy: -153.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -2097.252749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.252749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.252749 (E_RNA) where: Base-Base interactions energy: -1427.641 where: short stacking energy: -627.108 Base-Backbone interact. energy: 1.214 local terms energy: -670.825942 where: bonds (distance) C4'-P energy: -138.502 bonds (distance) P-C4' energy: -150.980 flat angles C4'-P-C4' energy: -130.722 flat angles P-C4'-P energy: -113.706 tors. eta vs tors. theta energy: -136.916 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: 3 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -1885.827503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.827503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.827503 (E_RNA) where: Base-Base interactions energy: -1239.098 where: short stacking energy: -551.098 Base-Backbone interact. energy: 6.002 local terms energy: -652.731865 where: bonds (distance) C4'-P energy: -149.484 bonds (distance) P-C4' energy: -145.038 flat angles C4'-P-C4' energy: -146.575 flat angles P-C4'-P energy: -106.097 tors. eta vs tors. theta energy: -105.537 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: 5 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -1300.218314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.218314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.218314 (E_RNA) where: Base-Base interactions energy: -770.780 where: short stacking energy: -390.299 Base-Backbone interact. energy: -3.127 local terms energy: -526.311032 where: bonds (distance) C4'-P energy: -143.794 bonds (distance) P-C4' energy: -160.093 flat angles C4'-P-C4' energy: -117.418 flat angles P-C4'-P energy: -80.719 tors. eta vs tors. theta energy: -24.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -3225.154197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.154197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.154197 (E_RNA) where: Base-Base interactions energy: -2249.284 where: short stacking energy: -930.872 Base-Backbone interact. energy: -4.028 local terms energy: -971.841332 where: bonds (distance) C4'-P energy: -178.945 bonds (distance) P-C4' energy: -180.256 flat angles C4'-P-C4' energy: -209.047 flat angles P-C4'-P energy: -132.583 tors. eta vs tors. theta energy: -271.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -3100.460598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.460598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.460598 (E_RNA) where: Base-Base interactions energy: -2156.637 where: short stacking energy: -912.570 Base-Backbone interact. energy: 1.503 local terms energy: -945.326857 where: bonds (distance) C4'-P energy: -188.266 bonds (distance) P-C4' energy: -177.648 flat angles C4'-P-C4' energy: -195.258 flat angles P-C4'-P energy: -121.008 tors. eta vs tors. theta energy: -263.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -2916.508355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.508355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.508355 (E_RNA) where: Base-Base interactions energy: -1993.318 where: short stacking energy: -830.337 Base-Backbone interact. energy: -5.404 local terms energy: -917.786311 where: bonds (distance) C4'-P energy: -186.966 bonds (distance) P-C4' energy: -166.541 flat angles C4'-P-C4' energy: -197.931 flat angles P-C4'-P energy: -136.916 tors. eta vs tors. theta energy: -229.432 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: 10 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -2751.099870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.099870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.099870 (E_RNA) where: Base-Base interactions energy: -1889.761 where: short stacking energy: -798.357 Base-Backbone interact. energy: -5.400 local terms energy: -855.939158 where: bonds (distance) C4'-P energy: -167.110 bonds (distance) P-C4' energy: -152.838 flat angles C4'-P-C4' energy: -190.587 flat angles P-C4'-P energy: -127.583 tors. eta vs tors. theta energy: -217.821 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: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -2619.948008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.948008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.948008 (E_RNA) where: Base-Base interactions energy: -1778.782 where: short stacking energy: -733.246 Base-Backbone interact. energy: -2.539 local terms energy: -838.627147 where: bonds (distance) C4'-P energy: -162.886 bonds (distance) P-C4' energy: -164.355 flat angles C4'-P-C4' energy: -188.136 flat angles P-C4'-P energy: -119.057 tors. eta vs tors. theta energy: -204.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -2606.948582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.948582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.948582 (E_RNA) where: Base-Base interactions energy: -1770.592 where: short stacking energy: -799.211 Base-Backbone interact. energy: 0.366 local terms energy: -836.722919 where: bonds (distance) C4'-P energy: -158.879 bonds (distance) P-C4' energy: -161.728 flat angles C4'-P-C4' energy: -177.662 flat angles P-C4'-P energy: -121.585 tors. eta vs tors. theta energy: -216.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -2205.487671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.487671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.487671 (E_RNA) where: Base-Base interactions energy: -1458.241 where: short stacking energy: -643.177 Base-Backbone interact. energy: -2.475 local terms energy: -744.771310 where: bonds (distance) C4'-P energy: -135.527 bonds (distance) P-C4' energy: -160.091 flat angles C4'-P-C4' energy: -185.938 flat angles P-C4'-P energy: -98.985 tors. eta vs tors. theta energy: -164.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -2034.012976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.012976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.012976 (E_RNA) where: Base-Base interactions energy: -1352.270 where: short stacking energy: -600.188 Base-Backbone interact. energy: -0.498 local terms energy: -681.244906 where: bonds (distance) C4'-P energy: -148.289 bonds (distance) P-C4' energy: -149.491 flat angles C4'-P-C4' energy: -155.157 flat angles P-C4'-P energy: -89.203 tors. eta vs tors. theta energy: -139.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -1880.550939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.550939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.550939 (E_RNA) where: Base-Base interactions energy: -1209.531 where: short stacking energy: -571.515 Base-Backbone interact. energy: -0.602 local terms energy: -670.417554 where: bonds (distance) C4'-P energy: -146.713 bonds (distance) P-C4' energy: -140.269 flat angles C4'-P-C4' energy: -159.011 flat angles P-C4'-P energy: -98.145 tors. eta vs tors. theta energy: -126.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -1306.814481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.814481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.814481 (E_RNA) where: Base-Base interactions energy: -798.547 where: short stacking energy: -392.646 Base-Backbone interact. energy: -3.262 local terms energy: -505.004681 where: bonds (distance) C4'-P energy: -121.714 bonds (distance) P-C4' energy: -152.779 flat angles C4'-P-C4' energy: -97.839 flat angles P-C4'-P energy: -74.463 tors. eta vs tors. theta energy: -58.210 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: 2 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -3221.446269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.446269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.446269 (E_RNA) where: Base-Base interactions energy: -2246.888 where: short stacking energy: -969.444 Base-Backbone interact. energy: -0.227 local terms energy: -974.331295 where: bonds (distance) C4'-P energy: -172.463 bonds (distance) P-C4' energy: -176.093 flat angles C4'-P-C4' energy: -199.787 flat angles P-C4'-P energy: -135.524 tors. eta vs tors. theta energy: -290.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -3146.613605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.613605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.613605 (E_RNA) where: Base-Base interactions energy: -2164.241 where: short stacking energy: -946.746 Base-Backbone interact. energy: -2.121 local terms energy: -980.250874 where: bonds (distance) C4'-P energy: -172.025 bonds (distance) P-C4' energy: -187.735 flat angles C4'-P-C4' energy: -204.257 flat angles P-C4'-P energy: -139.696 tors. eta vs tors. theta energy: -276.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -2957.601855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2957.601855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2957.601855 (E_RNA) where: Base-Base interactions energy: -2045.161 where: short stacking energy: -883.296 Base-Backbone interact. energy: -5.518 local terms energy: -906.922519 where: bonds (distance) C4'-P energy: -159.840 bonds (distance) P-C4' energy: -181.940 flat angles C4'-P-C4' energy: -194.601 flat angles P-C4'-P energy: -136.214 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: 4, replica: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -2700.917221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.917221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.917221 (E_RNA) where: Base-Base interactions energy: -1881.768 where: short stacking energy: -782.957 Base-Backbone interact. energy: -3.461 local terms energy: -815.688728 where: bonds (distance) C4'-P energy: -171.997 bonds (distance) P-C4' energy: -164.604 flat angles C4'-P-C4' energy: -167.429 flat angles P-C4'-P energy: -112.867 tors. eta vs tors. theta energy: -198.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -2621.493550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.493550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.493550 (E_RNA) where: Base-Base interactions energy: -1748.734 where: short stacking energy: -723.032 Base-Backbone interact. energy: -3.730 local terms energy: -869.029873 where: bonds (distance) C4'-P energy: -154.045 bonds (distance) P-C4' energy: -180.851 flat angles C4'-P-C4' energy: -184.882 flat angles P-C4'-P energy: -131.270 tors. eta vs tors. theta energy: -217.982 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: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -2583.481289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.481289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.481289 (E_RNA) where: Base-Base interactions energy: -1800.951 where: short stacking energy: -791.238 Base-Backbone interact. energy: -4.847 local terms energy: -777.683453 where: bonds (distance) C4'-P energy: -137.548 bonds (distance) P-C4' energy: -150.919 flat angles C4'-P-C4' energy: -167.359 flat angles P-C4'-P energy: -102.124 tors. eta vs tors. theta energy: -219.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -2236.958189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2236.958189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2236.958189 (E_RNA) where: Base-Base interactions energy: -1474.358 where: short stacking energy: -630.214 Base-Backbone interact. energy: -2.758 local terms energy: -759.842089 where: bonds (distance) C4'-P energy: -167.880 bonds (distance) P-C4' energy: -156.844 flat angles C4'-P-C4' energy: -173.627 flat angles P-C4'-P energy: -109.938 tors. eta vs tors. theta energy: -151.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -2080.045578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2080.045578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2080.045578 (E_RNA) where: Base-Base interactions energy: -1396.647 where: short stacking energy: -592.431 Base-Backbone interact. energy: -0.744 local terms energy: -682.654190 where: bonds (distance) C4'-P energy: -171.080 bonds (distance) P-C4' energy: -128.097 flat angles C4'-P-C4' energy: -156.031 flat angles P-C4'-P energy: -97.495 tors. eta vs tors. theta energy: -129.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -1781.942078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.942078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.942078 (E_RNA) where: Base-Base interactions energy: -1160.480 where: short stacking energy: -546.294 Base-Backbone interact. energy: -3.457 local terms energy: -618.004825 where: bonds (distance) C4'-P energy: -130.938 bonds (distance) P-C4' energy: -156.256 flat angles C4'-P-C4' energy: -134.623 flat angles P-C4'-P energy: -86.455 tors. eta vs tors. theta energy: -109.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -1235.870456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.870456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.870456 (E_RNA) where: Base-Base interactions energy: -702.556 where: short stacking energy: -345.128 Base-Backbone interact. energy: 0.160 local terms energy: -533.473617 where: bonds (distance) C4'-P energy: -147.585 bonds (distance) P-C4' energy: -150.498 flat angles C4'-P-C4' energy: -141.701 flat angles P-C4'-P energy: -62.087 tors. eta vs tors. theta energy: -31.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -3249.608359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3249.608359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3249.608359 (E_RNA) where: Base-Base interactions energy: -2261.496 where: short stacking energy: -953.436 Base-Backbone interact. energy: -3.222 local terms energy: -984.890087 where: bonds (distance) C4'-P energy: -173.023 bonds (distance) P-C4' energy: -182.806 flat angles C4'-P-C4' energy: -214.778 flat angles P-C4'-P energy: -126.561 tors. eta vs tors. theta energy: -287.722 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: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -3098.313782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.313782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.313782 (E_RNA) where: Base-Base interactions energy: -2153.214 where: short stacking energy: -909.355 Base-Backbone interact. energy: -1.251 local terms energy: -943.848847 where: bonds (distance) C4'-P energy: -174.416 bonds (distance) P-C4' energy: -176.538 flat angles C4'-P-C4' energy: -190.129 flat angles P-C4'-P energy: -130.377 tors. eta vs tors. theta energy: -272.388 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: 3, replica: 8 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -2947.466544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.466544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.466544 (E_RNA) where: Base-Base interactions energy: -2029.954 where: short stacking energy: -881.028 Base-Backbone interact. energy: -2.111 local terms energy: -915.401711 where: bonds (distance) C4'-P energy: -162.568 bonds (distance) P-C4' energy: -166.578 flat angles C4'-P-C4' energy: -204.826 flat angles P-C4'-P energy: -140.894 tors. eta vs tors. theta energy: -240.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -2743.418007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.418007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.418007 (E_RNA) where: Base-Base interactions energy: -1900.131 where: short stacking energy: -812.525 Base-Backbone interact. energy: -2.221 local terms energy: -841.065659 where: bonds (distance) C4'-P energy: -167.201 bonds (distance) P-C4' energy: -146.295 flat angles C4'-P-C4' energy: -175.304 flat angles P-C4'-P energy: -132.876 tors. eta vs tors. theta energy: -219.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -2684.796483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.796483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.796483 (E_RNA) where: Base-Base interactions energy: -1834.762 where: short stacking energy: -760.748 Base-Backbone interact. energy: 0.243 local terms energy: -850.278224 where: bonds (distance) C4'-P energy: -158.070 bonds (distance) P-C4' energy: -169.030 flat angles C4'-P-C4' energy: -192.174 flat angles P-C4'-P energy: -120.507 tors. eta vs tors. theta energy: -210.498 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: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -2539.699039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.699039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.699039 (E_RNA) where: Base-Base interactions energy: -1727.242 where: short stacking energy: -760.268 Base-Backbone interact. energy: 5.275 local terms energy: -817.732166 where: bonds (distance) C4'-P energy: -156.224 bonds (distance) P-C4' energy: -169.351 flat angles C4'-P-C4' energy: -168.306 flat angles P-C4'-P energy: -122.745 tors. eta vs tors. theta energy: -201.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -2224.338543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2224.338543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2224.338543 (E_RNA) where: Base-Base interactions energy: -1487.719 where: short stacking energy: -658.427 Base-Backbone interact. energy: 3.540 local terms energy: -740.159193 where: bonds (distance) C4'-P energy: -136.668 bonds (distance) P-C4' energy: -142.665 flat angles C4'-P-C4' energy: -174.710 flat angles P-C4'-P energy: -118.236 tors. eta vs tors. theta energy: -167.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -2055.176519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2055.176519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2055.176519 (E_RNA) where: Base-Base interactions energy: -1360.556 where: short stacking energy: -576.424 Base-Backbone interact. energy: -1.733 local terms energy: -692.887140 where: bonds (distance) C4'-P energy: -148.731 bonds (distance) P-C4' energy: -170.351 flat angles C4'-P-C4' energy: -155.609 flat angles P-C4'-P energy: -93.224 tors. eta vs tors. theta energy: -124.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -1733.272772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.272772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.272772 (E_RNA) where: Base-Base interactions energy: -1131.801 where: short stacking energy: -510.324 Base-Backbone interact. energy: 3.230 local terms energy: -604.701599 where: bonds (distance) C4'-P energy: -137.664 bonds (distance) P-C4' energy: -138.485 flat angles C4'-P-C4' energy: -146.391 flat angles P-C4'-P energy: -66.850 tors. eta vs tors. theta energy: -115.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -1273.410192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.410192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.410192 (E_RNA) where: Base-Base interactions energy: -709.752 where: short stacking energy: -355.990 Base-Backbone interact. energy: -5.830 local terms energy: -557.828955 where: bonds (distance) C4'-P energy: -141.780 bonds (distance) P-C4' energy: -142.169 flat angles C4'-P-C4' energy: -146.471 flat angles P-C4'-P energy: -92.182 tors. eta vs tors. theta energy: -35.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -3272.450468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3272.450468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3272.450468 (E_RNA) where: Base-Base interactions energy: -2260.374 where: short stacking energy: -978.452 Base-Backbone interact. energy: -0.787 local terms energy: -1011.289592 where: bonds (distance) C4'-P energy: -187.649 bonds (distance) P-C4' energy: -170.882 flat angles C4'-P-C4' energy: -219.818 flat angles P-C4'-P energy: -145.776 tors. eta vs tors. theta energy: -287.165 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: 7 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -3071.241824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3071.241824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3071.241824 (E_RNA) where: Base-Base interactions energy: -2105.716 where: short stacking energy: -912.398 Base-Backbone interact. energy: 1.071 local terms energy: -966.596663 where: bonds (distance) C4'-P energy: -174.522 bonds (distance) P-C4' energy: -189.277 flat angles C4'-P-C4' energy: -198.868 flat angles P-C4'-P energy: -146.673 tors. eta vs tors. theta energy: -257.256 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: 8 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -2952.052666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.052666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.052666 (E_RNA) where: Base-Base interactions energy: -2037.116 where: short stacking energy: -882.222 Base-Backbone interact. energy: -0.603 local terms energy: -914.333334 where: bonds (distance) C4'-P energy: -175.776 bonds (distance) P-C4' energy: -179.836 flat angles C4'-P-C4' energy: -192.135 flat angles P-C4'-P energy: -114.435 tors. eta vs tors. theta energy: -252.151 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: 10 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -2763.295217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.295217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.295217 (E_RNA) where: Base-Base interactions energy: -1902.990 where: short stacking energy: -805.124 Base-Backbone interact. energy: -4.251 local terms energy: -856.055186 where: bonds (distance) C4'-P energy: -164.519 bonds (distance) P-C4' energy: -173.119 flat angles C4'-P-C4' energy: -184.767 flat angles P-C4'-P energy: -121.821 tors. eta vs tors. theta energy: -211.830 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: 4 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -2754.972128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.972128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.972128 (E_RNA) where: Base-Base interactions energy: -1877.382 where: short stacking energy: -816.110 Base-Backbone interact. energy: -6.097 local terms energy: -871.493460 where: bonds (distance) C4'-P energy: -154.068 bonds (distance) P-C4' energy: -181.666 flat angles C4'-P-C4' energy: -192.087 flat angles P-C4'-P energy: -122.138 tors. eta vs tors. theta energy: -221.535 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: 1 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -2538.933078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.933078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.933078 (E_RNA) where: Base-Base interactions energy: -1756.092 where: short stacking energy: -766.931 Base-Backbone interact. energy: -0.188 local terms energy: -782.652199 where: bonds (distance) C4'-P energy: -134.584 bonds (distance) P-C4' energy: -143.678 flat angles C4'-P-C4' energy: -169.509 flat angles P-C4'-P energy: -107.456 tors. eta vs tors. theta energy: -227.425 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: 7, replica: 6 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -2203.957279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2203.957279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2203.957279 (E_RNA) where: Base-Base interactions energy: -1477.931 where: short stacking energy: -640.834 Base-Backbone interact. energy: -0.610 local terms energy: -725.416114 where: bonds (distance) C4'-P energy: -142.449 bonds (distance) P-C4' energy: -155.112 flat angles C4'-P-C4' energy: -170.478 flat angles P-C4'-P energy: -93.581 tors. eta vs tors. theta energy: -163.795 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: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -2073.956575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2073.956575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2073.956575 (E_RNA) where: Base-Base interactions energy: -1387.606 where: short stacking energy: -600.894 Base-Backbone interact. energy: -6.633 local terms energy: -679.716972 where: bonds (distance) C4'-P energy: -141.800 bonds (distance) P-C4' energy: -127.887 flat angles C4'-P-C4' energy: -167.426 flat angles P-C4'-P energy: -107.999 tors. eta vs tors. theta energy: -134.605 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: 9, replica: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -1853.051988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.051988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.051988 (E_RNA) where: Base-Base interactions energy: -1225.802 where: short stacking energy: -552.939 Base-Backbone interact. energy: -0.477 local terms energy: -626.773066 where: bonds (distance) C4'-P energy: -127.050 bonds (distance) P-C4' energy: -164.633 flat angles C4'-P-C4' energy: -145.583 flat angles P-C4'-P energy: -78.097 tors. eta vs tors. theta energy: -111.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -1242.878079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.878079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.878079 (E_RNA) where: Base-Base interactions energy: -736.921 where: short stacking energy: -387.773 Base-Backbone interact. energy: 10.876 local terms energy: -516.833070 where: bonds (distance) C4'-P energy: -121.493 bonds (distance) P-C4' energy: -141.754 flat angles C4'-P-C4' energy: -148.326 flat angles P-C4'-P energy: -84.181 tors. eta vs tors. theta energy: -21.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -3235.558760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3235.558760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3235.558760 (E_RNA) where: Base-Base interactions energy: -2252.587 where: short stacking energy: -973.320 Base-Backbone interact. energy: -3.753 local terms energy: -979.219437 where: bonds (distance) C4'-P energy: -169.688 bonds (distance) P-C4' energy: -178.895 flat angles C4'-P-C4' energy: -194.836 flat angles P-C4'-P energy: -148.170 tors. eta vs tors. theta energy: -287.629 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: 2, replica: 7 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -3119.171510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.171510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.171510 (E_RNA) where: Base-Base interactions energy: -2184.060 where: short stacking energy: -941.593 Base-Backbone interact. energy: -1.037 local terms energy: -934.074342 where: bonds (distance) C4'-P energy: -177.268 bonds (distance) P-C4' energy: -160.111 flat angles C4'-P-C4' energy: -203.743 flat angles P-C4'-P energy: -126.980 tors. eta vs tors. theta energy: -265.973 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: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -2888.032729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.032729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.032729 (E_RNA) where: Base-Base interactions energy: -1986.870 where: short stacking energy: -854.079 Base-Backbone interact. energy: -4.524 local terms energy: -896.638814 where: bonds (distance) C4'-P energy: -160.226 bonds (distance) P-C4' energy: -188.227 flat angles C4'-P-C4' energy: -198.115 flat angles P-C4'-P energy: -131.535 tors. eta vs tors. theta energy: -218.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -2782.648670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.648670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.648670 (E_RNA) where: Base-Base interactions energy: -1917.092 where: short stacking energy: -792.325 Base-Backbone interact. energy: -5.697 local terms energy: -859.858955 where: bonds (distance) C4'-P energy: -157.409 bonds (distance) P-C4' energy: -163.948 flat angles C4'-P-C4' energy: -180.186 flat angles P-C4'-P energy: -126.037 tors. eta vs tors. theta energy: -232.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -2677.958619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.958619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.958619 (E_RNA) where: Base-Base interactions energy: -1838.200 where: short stacking energy: -778.442 Base-Backbone interact. energy: -3.837 local terms energy: -835.922255 where: bonds (distance) C4'-P energy: -152.045 bonds (distance) P-C4' energy: -160.899 flat angles C4'-P-C4' energy: -188.239 flat angles P-C4'-P energy: -119.685 tors. eta vs tors. theta energy: -215.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -2642.236392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.236392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.236392 (E_RNA) where: Base-Base interactions energy: -1809.375 where: short stacking energy: -823.899 Base-Backbone interact. energy: -0.309 local terms energy: -832.552534 where: bonds (distance) C4'-P energy: -138.736 bonds (distance) P-C4' energy: -166.573 flat angles C4'-P-C4' energy: -171.621 flat angles P-C4'-P energy: -123.147 tors. eta vs tors. theta energy: -232.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -2183.589607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.589607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.589607 (E_RNA) where: Base-Base interactions energy: -1466.672 where: short stacking energy: -650.778 Base-Backbone interact. energy: -2.320 local terms energy: -714.597797 where: bonds (distance) C4'-P energy: -140.407 bonds (distance) P-C4' energy: -158.708 flat angles C4'-P-C4' energy: -175.333 flat angles P-C4'-P energy: -89.658 tors. eta vs tors. theta energy: -150.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -2026.506563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2026.506563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2026.506563 (E_RNA) where: Base-Base interactions energy: -1335.213 where: short stacking energy: -588.137 Base-Backbone interact. energy: -2.182 local terms energy: -689.111152 where: bonds (distance) C4'-P energy: -139.531 bonds (distance) P-C4' energy: -163.489 flat angles C4'-P-C4' energy: -162.744 flat angles P-C4'-P energy: -96.886 tors. eta vs tors. theta energy: -126.461 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: 3 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -1802.547861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.547861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.547861 (E_RNA) where: Base-Base interactions energy: -1160.206 where: short stacking energy: -488.340 Base-Backbone interact. energy: -1.809 local terms energy: -640.532338 where: bonds (distance) C4'-P energy: -151.041 bonds (distance) P-C4' energy: -155.500 flat angles C4'-P-C4' energy: -154.702 flat angles P-C4'-P energy: -96.711 tors. eta vs tors. theta energy: -82.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -1243.194275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.194275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.194275 (E_RNA) where: Base-Base interactions energy: -712.869 where: short stacking energy: -343.140 Base-Backbone interact. energy: -4.471 local terms energy: -525.854368 where: bonds (distance) C4'-P energy: -133.837 bonds (distance) P-C4' energy: -139.867 flat angles C4'-P-C4' energy: -145.300 flat angles P-C4'-P energy: -79.923 tors. eta vs tors. theta energy: -26.927 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: 2 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -3231.381492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.381492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.381492 (E_RNA) where: Base-Base interactions energy: -2237.077 where: short stacking energy: -977.300 Base-Backbone interact. energy: 2.433 local terms energy: -996.737553 where: bonds (distance) C4'-P energy: -175.316 bonds (distance) P-C4' energy: -180.146 flat angles C4'-P-C4' energy: -216.803 flat angles P-C4'-P energy: -141.908 tors. eta vs tors. theta energy: -282.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -3085.025762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.025762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.025762 (E_RNA) where: Base-Base interactions energy: -2143.163 where: short stacking energy: -923.757 Base-Backbone interact. energy: -2.633 local terms energy: -939.229043 where: bonds (distance) C4'-P energy: -184.491 bonds (distance) P-C4' energy: -163.631 flat angles C4'-P-C4' energy: -192.214 flat angles P-C4'-P energy: -137.447 tors. eta vs tors. theta energy: -261.446 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: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -2903.961405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.961405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.961405 (E_RNA) where: Base-Base interactions energy: -1995.951 where: short stacking energy: -863.782 Base-Backbone interact. energy: -2.012 local terms energy: -905.998330 where: bonds (distance) C4'-P energy: -166.044 bonds (distance) P-C4' energy: -175.369 flat angles C4'-P-C4' energy: -200.535 flat angles P-C4'-P energy: -127.044 tors. eta vs tors. theta energy: -237.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -2770.210404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2770.210404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2770.210404 (E_RNA) where: Base-Base interactions energy: -1941.957 where: short stacking energy: -829.615 Base-Backbone interact. energy: -1.080 local terms energy: -827.173507 where: bonds (distance) C4'-P energy: -147.367 bonds (distance) P-C4' energy: -164.740 flat angles C4'-P-C4' energy: -179.772 flat angles P-C4'-P energy: -124.150 tors. eta vs tors. theta energy: -211.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -2655.123976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.123976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.123976 (E_RNA) where: Base-Base interactions energy: -1829.934 where: short stacking energy: -786.294 Base-Backbone interact. energy: 4.514 local terms energy: -829.704297 where: bonds (distance) C4'-P energy: -159.867 bonds (distance) P-C4' energy: -147.690 flat angles C4'-P-C4' energy: -177.090 flat angles P-C4'-P energy: -105.006 tors. eta vs tors. theta energy: -240.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -2634.340103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.340103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.340103 (E_RNA) where: Base-Base interactions energy: -1824.993 where: short stacking energy: -801.256 Base-Backbone interact. energy: 4.175 local terms energy: -813.522495 where: bonds (distance) C4'-P energy: -141.155 bonds (distance) P-C4' energy: -141.676 flat angles C4'-P-C4' energy: -185.419 flat angles P-C4'-P energy: -110.200 tors. eta vs tors. theta energy: -235.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -2259.915643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2259.915643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2259.915643 (E_RNA) where: Base-Base interactions energy: -1496.227 where: short stacking energy: -700.157 Base-Backbone interact. energy: 3.477 local terms energy: -767.165493 where: bonds (distance) C4'-P energy: -148.021 bonds (distance) P-C4' energy: -162.034 flat angles C4'-P-C4' energy: -164.055 flat angles P-C4'-P energy: -115.071 tors. eta vs tors. theta energy: -177.985 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: 8, replica: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -2048.784081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2048.784081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2048.784081 (E_RNA) where: Base-Base interactions energy: -1360.552 where: short stacking energy: -595.177 Base-Backbone interact. energy: 6.944 local terms energy: -695.176425 where: bonds (distance) C4'-P energy: -142.107 bonds (distance) P-C4' energy: -142.020 flat angles C4'-P-C4' energy: -162.519 flat angles P-C4'-P energy: -118.709 tors. eta vs tors. theta energy: -129.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -1803.727294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.727294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.727294 (E_RNA) where: Base-Base interactions energy: -1185.912 where: short stacking energy: -523.633 Base-Backbone interact. energy: -2.873 local terms energy: -614.942454 where: bonds (distance) C4'-P energy: -149.124 bonds (distance) P-C4' energy: -149.657 flat angles C4'-P-C4' energy: -151.907 flat angles P-C4'-P energy: -86.702 tors. eta vs tors. theta energy: -77.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -1218.651391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.651391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.651391 (E_RNA) where: Base-Base interactions energy: -715.621 where: short stacking energy: -353.151 Base-Backbone interact. energy: -2.031 local terms energy: -500.999370 where: bonds (distance) C4'-P energy: -149.822 bonds (distance) P-C4' energy: -132.406 flat angles C4'-P-C4' energy: -133.281 flat angles P-C4'-P energy: -56.398 tors. eta vs tors. theta energy: -29.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -3203.959730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.959730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.959730 (E_RNA) where: Base-Base interactions energy: -2217.618 where: short stacking energy: -964.891 Base-Backbone interact. energy: -3.317 local terms energy: -983.024964 where: bonds (distance) C4'-P energy: -157.072 bonds (distance) P-C4' energy: -184.229 flat angles C4'-P-C4' energy: -215.568 flat angles P-C4'-P energy: -147.851 tors. eta vs tors. theta energy: -278.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -3111.215210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.215210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.215210 (E_RNA) where: Base-Base interactions energy: -2161.677 where: short stacking energy: -914.793 Base-Backbone interact. energy: -4.010 local terms energy: -945.528038 where: bonds (distance) C4'-P energy: -183.921 bonds (distance) P-C4' energy: -167.529 flat angles C4'-P-C4' energy: -203.869 flat angles P-C4'-P energy: -129.270 tors. eta vs tors. theta energy: -260.940 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: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -2918.999564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.999564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.999564 (E_RNA) where: Base-Base interactions energy: -2021.102 where: short stacking energy: -847.104 Base-Backbone interact. energy: -1.038 local terms energy: -896.859032 where: bonds (distance) C4'-P energy: -153.416 bonds (distance) P-C4' energy: -200.597 flat angles C4'-P-C4' energy: -194.064 flat angles P-C4'-P energy: -130.906 tors. eta vs tors. theta energy: -217.877 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: 10 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -2715.771438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.771438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.771438 (E_RNA) where: Base-Base interactions energy: -1880.934 where: short stacking energy: -785.653 Base-Backbone interact. energy: -5.185 local terms energy: -829.651761 where: bonds (distance) C4'-P energy: -161.651 bonds (distance) P-C4' energy: -157.661 flat angles C4'-P-C4' energy: -186.971 flat angles P-C4'-P energy: -120.753 tors. eta vs tors. theta energy: -202.617 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: 4 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -2671.429227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.429227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.429227 (E_RNA) where: Base-Base interactions energy: -1820.009 where: short stacking energy: -783.864 Base-Backbone interact. energy: 0.544 local terms energy: -851.964825 where: bonds (distance) C4'-P energy: -160.765 bonds (distance) P-C4' energy: -165.274 flat angles C4'-P-C4' energy: -171.620 flat angles P-C4'-P energy: -121.712 tors. eta vs tors. theta energy: -232.593 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: 1 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -2565.758230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.758230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.758230 (E_RNA) where: Base-Base interactions energy: -1762.888 where: short stacking energy: -782.698 Base-Backbone interact. energy: -1.885 local terms energy: -800.984928 where: bonds (distance) C4'-P energy: -138.279 bonds (distance) P-C4' energy: -162.879 flat angles C4'-P-C4' energy: -177.144 flat angles P-C4'-P energy: -106.522 tors. eta vs tors. theta energy: -216.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -2300.926058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.926058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.926058 (E_RNA) where: Base-Base interactions energy: -1565.044 where: short stacking energy: -689.272 Base-Backbone interact. energy: -1.866 local terms energy: -734.015727 where: bonds (distance) C4'-P energy: -137.083 bonds (distance) P-C4' energy: -153.942 flat angles C4'-P-C4' energy: -178.576 flat angles P-C4'-P energy: -89.388 tors. eta vs tors. theta energy: -175.027 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: 9 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -2042.070834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.070834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.070834 (E_RNA) where: Base-Base interactions energy: -1352.949 where: short stacking energy: -560.990 Base-Backbone interact. energy: 0.150 local terms energy: -689.271836 where: bonds (distance) C4'-P energy: -160.796 bonds (distance) P-C4' energy: -163.153 flat angles C4'-P-C4' energy: -155.833 flat angles P-C4'-P energy: -90.949 tors. eta vs tors. theta energy: -118.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -1812.321117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.321117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.321117 (E_RNA) where: Base-Base interactions energy: -1156.383 where: short stacking energy: -522.122 Base-Backbone interact. energy: -5.713 local terms energy: -650.225047 where: bonds (distance) C4'-P energy: -142.137 bonds (distance) P-C4' energy: -166.166 flat angles C4'-P-C4' energy: -148.079 flat angles P-C4'-P energy: -78.603 tors. eta vs tors. theta energy: -115.240 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: 10, replica: 5 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -1262.166007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.166007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.166007 (E_RNA) where: Base-Base interactions energy: -726.289 where: short stacking energy: -358.062 Base-Backbone interact. energy: 1.283 local terms energy: -537.159573 where: bonds (distance) C4'-P energy: -146.799 bonds (distance) P-C4' energy: -152.535 flat angles C4'-P-C4' energy: -110.405 flat angles P-C4'-P energy: -78.913 tors. eta vs tors. theta energy: -48.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -3234.844445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3234.844445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3234.844445 (E_RNA) where: Base-Base interactions energy: -2280.899 where: short stacking energy: -946.706 Base-Backbone interact. energy: -5.788 local terms energy: -948.158295 where: bonds (distance) C4'-P energy: -182.067 bonds (distance) P-C4' energy: -175.714 flat angles C4'-P-C4' energy: -194.225 flat angles P-C4'-P energy: -133.641 tors. eta vs tors. theta energy: -262.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -3089.884558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.884558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.884558 (E_RNA) where: Base-Base interactions energy: -2163.295 where: short stacking energy: -903.626 Base-Backbone interact. energy: -3.647 local terms energy: -922.942447 where: bonds (distance) C4'-P energy: -185.960 bonds (distance) P-C4' energy: -164.727 flat angles C4'-P-C4' energy: -185.153 flat angles P-C4'-P energy: -122.697 tors. eta vs tors. theta energy: -264.406 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: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -2904.277938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.277938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.277938 (E_RNA) where: Base-Base interactions energy: -2022.862 where: short stacking energy: -835.490 Base-Backbone interact. energy: 3.433 local terms energy: -884.849259 where: bonds (distance) C4'-P energy: -159.720 bonds (distance) P-C4' energy: -184.040 flat angles C4'-P-C4' energy: -188.452 flat angles P-C4'-P energy: -127.023 tors. eta vs tors. theta energy: -225.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -2809.130439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.130439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.130439 (E_RNA) where: Base-Base interactions energy: -1920.703 where: short stacking energy: -815.710 Base-Backbone interact. energy: -4.263 local terms energy: -884.164394 where: bonds (distance) C4'-P energy: -146.888 bonds (distance) P-C4' energy: -161.865 flat angles C4'-P-C4' energy: -202.421 flat angles P-C4'-P energy: -130.538 tors. eta vs tors. theta energy: -242.452 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: 5, replica: 10 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -2640.303033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.303033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.303033 (E_RNA) where: Base-Base interactions energy: -1824.835 where: short stacking energy: -770.156 Base-Backbone interact. energy: -4.004 local terms energy: -811.464048 where: bonds (distance) C4'-P energy: -152.515 bonds (distance) P-C4' energy: -163.899 flat angles C4'-P-C4' energy: -181.844 flat angles P-C4'-P energy: -123.994 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: 223 Temperature: 1.150000 Total energy: -2602.679601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2602.679601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2602.679601 (E_RNA) where: Base-Base interactions energy: -1785.791 where: short stacking energy: -788.255 Base-Backbone interact. energy: -3.101 local terms energy: -813.787603 where: bonds (distance) C4'-P energy: -156.034 bonds (distance) P-C4' energy: -138.649 flat angles C4'-P-C4' energy: -180.533 flat angles P-C4'-P energy: -124.165 tors. eta vs tors. theta energy: -214.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -2264.025479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2264.025479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2264.025479 (E_RNA) where: Base-Base interactions energy: -1526.374 where: short stacking energy: -659.189 Base-Backbone interact. energy: 3.739 local terms energy: -741.390671 where: bonds (distance) C4'-P energy: -144.194 bonds (distance) P-C4' energy: -162.001 flat angles C4'-P-C4' energy: -156.569 flat angles P-C4'-P energy: -115.776 tors. eta vs tors. theta energy: -162.850 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: 9 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -2004.732315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.732315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.732315 (E_RNA) where: Base-Base interactions energy: -1320.156 where: short stacking energy: -570.163 Base-Backbone interact. energy: 0.565 local terms energy: -685.141326 where: bonds (distance) C4'-P energy: -143.951 bonds (distance) P-C4' energy: -152.890 flat angles C4'-P-C4' energy: -167.498 flat angles P-C4'-P energy: -90.164 tors. eta vs tors. theta energy: -130.638 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: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -1777.315757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.315757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.315757 (E_RNA) where: Base-Base interactions energy: -1157.404 where: short stacking energy: -514.508 Base-Backbone interact. energy: 2.550 local terms energy: -622.461542 where: bonds (distance) C4'-P energy: -150.582 bonds (distance) P-C4' energy: -143.931 flat angles C4'-P-C4' energy: -151.594 flat angles P-C4'-P energy: -86.671 tors. eta vs tors. theta energy: -89.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -1198.178251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.178251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.178251 (E_RNA) where: Base-Base interactions energy: -718.060 where: short stacking energy: -370.730 Base-Backbone interact. energy: 5.151 local terms energy: -485.269985 where: bonds (distance) C4'-P energy: -126.805 bonds (distance) P-C4' energy: -131.876 flat angles C4'-P-C4' energy: -120.418 flat angles P-C4'-P energy: -78.119 tors. eta vs tors. theta energy: -28.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -3255.899541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3255.899541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3255.899541 (E_RNA) where: Base-Base interactions energy: -2252.916 where: short stacking energy: -929.070 Base-Backbone interact. energy: -5.447 local terms energy: -997.536188 where: bonds (distance) C4'-P energy: -175.328 bonds (distance) P-C4' energy: -186.119 flat angles C4'-P-C4' energy: -211.885 flat angles P-C4'-P energy: -156.489 tors. eta vs tors. theta energy: -267.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -3091.748651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.748651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.748651 (E_RNA) where: Base-Base interactions energy: -2147.478 where: short stacking energy: -902.821 Base-Backbone interact. energy: -0.019 local terms energy: -944.251257 where: bonds (distance) C4'-P energy: -166.171 bonds (distance) P-C4' energy: -171.653 flat angles C4'-P-C4' energy: -211.057 flat angles P-C4'-P energy: -133.384 tors. eta vs tors. theta energy: -261.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -2895.902032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.902032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.902032 (E_RNA) where: Base-Base interactions energy: -1965.126 where: short stacking energy: -852.297 Base-Backbone interact. energy: -0.960 local terms energy: -929.815773 where: bonds (distance) C4'-P energy: -176.223 bonds (distance) P-C4' energy: -169.143 flat angles C4'-P-C4' energy: -197.870 flat angles P-C4'-P energy: -127.372 tors. eta vs tors. theta energy: -259.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -2818.223412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.223412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.223412 (E_RNA) where: Base-Base interactions energy: -1954.949 where: short stacking energy: -813.031 Base-Backbone interact. energy: -0.170 local terms energy: -863.104879 where: bonds (distance) C4'-P energy: -176.140 bonds (distance) P-C4' energy: -169.731 flat angles C4'-P-C4' energy: -186.691 flat angles P-C4'-P energy: -119.781 tors. eta vs tors. theta energy: -210.761 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: 10 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -2667.407344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.407344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.407344 (E_RNA) where: Base-Base interactions energy: -1848.076 where: short stacking energy: -783.229 Base-Backbone interact. energy: -3.649 local terms energy: -815.682167 where: bonds (distance) C4'-P energy: -130.027 bonds (distance) P-C4' energy: -171.261 flat angles C4'-P-C4' energy: -179.935 flat angles P-C4'-P energy: -123.004 tors. eta vs tors. theta energy: -211.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -2514.746001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.746001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.746001 (E_RNA) where: Base-Base interactions energy: -1739.238 where: short stacking energy: -774.449 Base-Backbone interact. energy: -0.286 local terms energy: -775.222114 where: bonds (distance) C4'-P energy: -152.840 bonds (distance) P-C4' energy: -150.637 flat angles C4'-P-C4' energy: -179.386 flat angles P-C4'-P energy: -90.035 tors. eta vs tors. theta energy: -202.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -2235.661119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2235.661119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2235.661119 (E_RNA) where: Base-Base interactions energy: -1509.123 where: short stacking energy: -662.138 Base-Backbone interact. energy: -1.254 local terms energy: -725.283717 where: bonds (distance) C4'-P energy: -143.076 bonds (distance) P-C4' energy: -156.217 flat angles C4'-P-C4' energy: -171.040 flat angles P-C4'-P energy: -91.100 tors. eta vs tors. theta energy: -163.851 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: 9 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -2015.220604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.220604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.220604 (E_RNA) where: Base-Base interactions energy: -1339.422 where: short stacking energy: -550.344 Base-Backbone interact. energy: 0.556 local terms energy: -676.354476 where: bonds (distance) C4'-P energy: -156.399 bonds (distance) P-C4' energy: -162.116 flat angles C4'-P-C4' energy: -139.060 flat angles P-C4'-P energy: -91.945 tors. eta vs tors. theta energy: -126.834 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: 3 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -1797.156490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.156490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.156490 (E_RNA) where: Base-Base interactions energy: -1148.370 where: short stacking energy: -494.736 Base-Backbone interact. energy: 4.942 local terms energy: -653.729160 where: bonds (distance) C4'-P energy: -166.271 bonds (distance) P-C4' energy: -144.167 flat angles C4'-P-C4' energy: -141.566 flat angles P-C4'-P energy: -103.552 tors. eta vs tors. theta energy: -98.173 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: 5 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -1183.408429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.408429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.408429 (E_RNA) where: Base-Base interactions energy: -689.058 where: short stacking energy: -330.292 Base-Backbone interact. energy: -4.886 local terms energy: -489.463602 where: bonds (distance) C4'-P energy: -139.904 bonds (distance) P-C4' energy: -168.409 flat angles C4'-P-C4' energy: -111.925 flat angles P-C4'-P energy: -60.444 tors. eta vs tors. theta energy: -8.782 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: 2 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -3260.224917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3260.224917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3260.224917 (E_RNA) where: Base-Base interactions energy: -2268.300 where: short stacking energy: -974.462 Base-Backbone interact. energy: -1.010 local terms energy: -990.914208 where: bonds (distance) C4'-P energy: -174.713 bonds (distance) P-C4' energy: -173.736 flat angles C4'-P-C4' energy: -218.761 flat angles P-C4'-P energy: -145.202 tors. eta vs tors. theta energy: -278.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -3111.556051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.556051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.556051 (E_RNA) where: Base-Base interactions energy: -2167.056 where: short stacking energy: -915.122 Base-Backbone interact. energy: -1.316 local terms energy: -943.183532 where: bonds (distance) C4'-P energy: -168.998 bonds (distance) P-C4' energy: -160.090 flat angles C4'-P-C4' energy: -199.067 flat angles P-C4'-P energy: -138.456 tors. eta vs tors. theta energy: -276.572 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: 4 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -2916.763838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.763838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.763838 (E_RNA) where: Base-Base interactions energy: -2007.001 where: short stacking energy: -886.013 Base-Backbone interact. energy: -3.143 local terms energy: -906.619920 where: bonds (distance) C4'-P energy: -162.902 bonds (distance) P-C4' energy: -155.140 flat angles C4'-P-C4' energy: -197.176 flat angles P-C4'-P energy: -127.547 tors. eta vs tors. theta energy: -263.855 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: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -2798.130905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.130905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.130905 (E_RNA) where: Base-Base interactions energy: -1935.370 where: short stacking energy: -821.077 Base-Backbone interact. energy: -3.077 local terms energy: -859.684220 where: bonds (distance) C4'-P energy: -155.608 bonds (distance) P-C4' energy: -155.889 flat angles C4'-P-C4' energy: -187.391 flat angles P-C4'-P energy: -129.234 tors. eta vs tors. theta energy: -231.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -2691.055997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.055997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.055997 (E_RNA) where: Base-Base interactions energy: -1855.528 where: short stacking energy: -756.027 Base-Backbone interact. energy: -4.986 local terms energy: -830.541723 where: bonds (distance) C4'-P energy: -168.842 bonds (distance) P-C4' energy: -158.700 flat angles C4'-P-C4' energy: -183.156 flat angles P-C4'-P energy: -108.475 tors. eta vs tors. theta energy: -211.369 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: 6, replica: 1 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -2496.517482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.517482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.517482 (E_RNA) where: Base-Base interactions energy: -1715.759 where: short stacking energy: -755.518 Base-Backbone interact. energy: -2.056 local terms energy: -778.703023 where: bonds (distance) C4'-P energy: -114.001 bonds (distance) P-C4' energy: -172.747 flat angles C4'-P-C4' energy: -173.558 flat angles P-C4'-P energy: -117.418 tors. eta vs tors. theta energy: -200.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -2188.095953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2188.095953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2188.095953 (E_RNA) where: Base-Base interactions energy: -1463.100 where: short stacking energy: -649.154 Base-Backbone interact. energy: -3.520 local terms energy: -721.475889 where: bonds (distance) C4'-P energy: -151.451 bonds (distance) P-C4' energy: -159.050 flat angles C4'-P-C4' energy: -168.374 flat angles P-C4'-P energy: -102.277 tors. eta vs tors. theta energy: -140.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -2056.444484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.444484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.444484 (E_RNA) where: Base-Base interactions energy: -1372.867 where: short stacking energy: -616.015 Base-Backbone interact. energy: -1.910 local terms energy: -681.667184 where: bonds (distance) C4'-P energy: -147.256 bonds (distance) P-C4' energy: -150.447 flat angles C4'-P-C4' energy: -150.932 flat angles P-C4'-P energy: -97.404 tors. eta vs tors. theta energy: -135.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -1713.309619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.309619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.309619 (E_RNA) where: Base-Base interactions energy: -1099.401 where: short stacking energy: -511.951 Base-Backbone interact. energy: 1.536 local terms energy: -615.444701 where: bonds (distance) C4'-P energy: -143.063 bonds (distance) P-C4' energy: -140.163 flat angles C4'-P-C4' energy: -145.140 flat angles P-C4'-P energy: -85.260 tors. eta vs tors. theta energy: -101.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -1160.666310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.666310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.666310 (E_RNA) where: Base-Base interactions energy: -648.916 where: short stacking energy: -321.823 Base-Backbone interact. energy: 0.883 local terms energy: -512.633096 where: bonds (distance) C4'-P energy: -136.404 bonds (distance) P-C4' energy: -151.408 flat angles C4'-P-C4' energy: -125.484 flat angles P-C4'-P energy: -74.933 tors. eta vs tors. theta energy: -24.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -3238.927182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.927182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.927182 (E_RNA) where: Base-Base interactions energy: -2292.192 where: short stacking energy: -974.530 Base-Backbone interact. energy: -3.020 local terms energy: -943.715144 where: bonds (distance) C4'-P energy: -170.311 bonds (distance) P-C4' energy: -167.007 flat angles C4'-P-C4' energy: -214.077 flat angles P-C4'-P energy: -118.403 tors. eta vs tors. theta energy: -273.918 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: 2, replica: 7 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -3080.408798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3080.408798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3080.408798 (E_RNA) where: Base-Base interactions energy: -2106.442 where: short stacking energy: -934.802 Base-Backbone interact. energy: -1.319 local terms energy: -972.647636 where: bonds (distance) C4'-P energy: -169.512 bonds (distance) P-C4' energy: -173.698 flat angles C4'-P-C4' energy: -216.191 flat angles P-C4'-P energy: -131.052 tors. eta vs tors. theta energy: -282.195 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: 3, replica: 4 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -2894.075424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.075424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.075424 (E_RNA) where: Base-Base interactions energy: -1999.866 where: short stacking energy: -872.916 Base-Backbone interact. energy: 0.190 local terms energy: -894.398734 where: bonds (distance) C4'-P energy: -169.584 bonds (distance) P-C4' energy: -152.355 flat angles C4'-P-C4' energy: -206.892 flat angles P-C4'-P energy: -106.981 tors. eta vs tors. theta energy: -258.587 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: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -2765.164520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.164520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.164520 (E_RNA) where: Base-Base interactions energy: -1935.993 where: short stacking energy: -807.439 Base-Backbone interact. energy: -0.276 local terms energy: -828.895313 where: bonds (distance) C4'-P energy: -134.868 bonds (distance) P-C4' energy: -183.385 flat angles C4'-P-C4' energy: -184.161 flat angles P-C4'-P energy: -114.780 tors. eta vs tors. theta energy: -211.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -2680.354826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.354826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.354826 (E_RNA) where: Base-Base interactions energy: -1871.538 where: short stacking energy: -763.131 Base-Backbone interact. energy: -5.116 local terms energy: -803.700651 where: bonds (distance) C4'-P energy: -178.123 bonds (distance) P-C4' energy: -130.928 flat angles C4'-P-C4' energy: -168.396 flat angles P-C4'-P energy: -122.054 tors. eta vs tors. theta energy: -204.200 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: 6, replica: 1 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -2578.476337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.476337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.476337 (E_RNA) where: Base-Base interactions energy: -1795.573 where: short stacking energy: -758.926 Base-Backbone interact. energy: -2.961 local terms energy: -779.942062 where: bonds (distance) C4'-P energy: -149.700 bonds (distance) P-C4' energy: -166.261 flat angles C4'-P-C4' energy: -159.940 flat angles P-C4'-P energy: -113.064 tors. eta vs tors. theta energy: -190.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -2175.983025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2175.983025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2175.983025 (E_RNA) where: Base-Base interactions energy: -1448.713 where: short stacking energy: -624.636 Base-Backbone interact. energy: -1.841 local terms energy: -725.429273 where: bonds (distance) C4'-P energy: -156.347 bonds (distance) P-C4' energy: -153.224 flat angles C4'-P-C4' energy: -141.964 flat angles P-C4'-P energy: -110.892 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: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -2063.448301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.448301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.448301 (E_RNA) where: Base-Base interactions energy: -1365.964 where: short stacking energy: -589.622 Base-Backbone interact. energy: -0.484 local terms energy: -697.000462 where: bonds (distance) C4'-P energy: -149.132 bonds (distance) P-C4' energy: -155.969 flat angles C4'-P-C4' energy: -154.584 flat angles P-C4'-P energy: -101.816 tors. eta vs tors. theta energy: -135.500 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: 3 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -1765.633246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.633246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.633246 (E_RNA) where: Base-Base interactions energy: -1159.563 where: short stacking energy: -514.462 Base-Backbone interact. energy: -0.827 local terms energy: -605.244062 where: bonds (distance) C4'-P energy: -148.276 bonds (distance) P-C4' energy: -140.326 flat angles C4'-P-C4' energy: -155.571 flat angles P-C4'-P energy: -62.945 tors. eta vs tors. theta energy: -98.127 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: 5 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -1181.600424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.600424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.600424 (E_RNA) where: Base-Base interactions energy: -655.317 where: short stacking energy: -338.660 Base-Backbone interact. energy: -3.825 local terms energy: -522.457902 where: bonds (distance) C4'-P energy: -140.582 bonds (distance) P-C4' energy: -133.300 flat angles C4'-P-C4' energy: -151.924 flat angles P-C4'-P energy: -84.695 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: 2 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -3233.145218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3233.145218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3233.145218 (E_RNA) where: Base-Base interactions energy: -2266.818 where: short stacking energy: -968.847 Base-Backbone interact. energy: -2.999 local terms energy: -963.328563 where: bonds (distance) C4'-P energy: -162.525 bonds (distance) P-C4' energy: -197.877 flat angles C4'-P-C4' energy: -202.512 flat angles P-C4'-P energy: -125.456 tors. eta vs tors. theta energy: -274.959 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: 7 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -3073.069296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3073.069296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3073.069296 (E_RNA) where: Base-Base interactions energy: -2097.481 where: short stacking energy: -898.007 Base-Backbone interact. energy: -2.193 local terms energy: -973.395254 where: bonds (distance) C4'-P energy: -173.529 bonds (distance) P-C4' energy: -165.477 flat angles C4'-P-C4' energy: -214.324 flat angles P-C4'-P energy: -155.481 tors. eta vs tors. theta energy: -264.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -2915.934326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.934326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.934326 (E_RNA) where: Base-Base interactions energy: -1999.218 where: short stacking energy: -887.321 Base-Backbone interact. energy: -4.377 local terms energy: -912.339626 where: bonds (distance) C4'-P energy: -155.616 bonds (distance) P-C4' energy: -153.748 flat angles C4'-P-C4' energy: -213.222 flat angles P-C4'-P energy: -123.109 tors. eta vs tors. theta energy: -266.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -2811.735963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.735963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.735963 (E_RNA) where: Base-Base interactions energy: -1948.092 where: short stacking energy: -802.297 Base-Backbone interact. energy: 0.077 local terms energy: -863.721647 where: bonds (distance) C4'-P energy: -170.370 bonds (distance) P-C4' energy: -156.861 flat angles C4'-P-C4' energy: -201.473 flat angles P-C4'-P energy: -116.865 tors. eta vs tors. theta energy: -218.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -2660.292949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.292949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.292949 (E_RNA) where: Base-Base interactions energy: -1845.661 where: short stacking energy: -792.520 Base-Backbone interact. energy: -3.743 local terms energy: -810.889016 where: bonds (distance) C4'-P energy: -155.456 bonds (distance) P-C4' energy: -161.667 flat angles C4'-P-C4' energy: -181.271 flat angles P-C4'-P energy: -109.997 tors. eta vs tors. theta energy: -202.498 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: 6, replica: 1 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -2501.847952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.847952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.847952 (E_RNA) where: Base-Base interactions energy: -1697.143 where: short stacking energy: -725.218 Base-Backbone interact. energy: 0.812 local terms energy: -805.517460 where: bonds (distance) C4'-P energy: -157.659 bonds (distance) P-C4' energy: -154.117 flat angles C4'-P-C4' energy: -175.683 flat angles P-C4'-P energy: -114.411 tors. eta vs tors. theta energy: -203.648 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: 6 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -2233.663235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2233.663235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2233.663235 (E_RNA) where: Base-Base interactions energy: -1472.976 where: short stacking energy: -634.077 Base-Backbone interact. energy: -3.948 local terms energy: -756.738764 where: bonds (distance) C4'-P energy: -142.824 bonds (distance) P-C4' energy: -162.014 flat angles C4'-P-C4' energy: -183.785 flat angles P-C4'-P energy: -107.380 tors. eta vs tors. theta energy: -160.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1955.028954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1955.028954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1955.028954 (E_RNA) where: Base-Base interactions energy: -1294.541 where: short stacking energy: -555.696 Base-Backbone interact. energy: -0.353 local terms energy: -660.135697 where: bonds (distance) C4'-P energy: -159.627 bonds (distance) P-C4' energy: -158.021 flat angles C4'-P-C4' energy: -138.236 flat angles P-C4'-P energy: -109.997 tors. eta vs tors. theta energy: -94.254 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: 9, replica: 3 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -1772.957290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.957290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.957290 (E_RNA) where: Base-Base interactions energy: -1134.439 where: short stacking energy: -509.284 Base-Backbone interact. energy: 6.821 local terms energy: -645.339486 where: bonds (distance) C4'-P energy: -151.001 bonds (distance) P-C4' energy: -149.596 flat angles C4'-P-C4' energy: -150.895 flat angles P-C4'-P energy: -77.407 tors. eta vs tors. theta energy: -116.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -1175.129737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.129737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.129737 (E_RNA) where: Base-Base interactions energy: -676.511 where: short stacking energy: -331.785 Base-Backbone interact. energy: 8.032 local terms energy: -506.651137 where: bonds (distance) C4'-P energy: -122.761 bonds (distance) P-C4' energy: -148.176 flat angles C4'-P-C4' energy: -143.076 flat angles P-C4'-P energy: -74.075 tors. eta vs tors. theta energy: -18.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -3198.065553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3198.065553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3198.065553 (E_RNA) where: Base-Base interactions energy: -2234.949 where: short stacking energy: -962.895 Base-Backbone interact. energy: -2.724 local terms energy: -960.392415 where: bonds (distance) C4'-P energy: -167.151 bonds (distance) P-C4' energy: -184.150 flat angles C4'-P-C4' energy: -211.517 flat angles P-C4'-P energy: -129.604 tors. eta vs tors. theta energy: -267.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -3089.396518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.396518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.396518 (E_RNA) where: Base-Base interactions energy: -2144.949 where: short stacking energy: -930.423 Base-Backbone interact. energy: -0.882 local terms energy: -943.565085 where: bonds (distance) C4'-P energy: -165.668 bonds (distance) P-C4' energy: -176.255 flat angles C4'-P-C4' energy: -202.926 flat angles P-C4'-P energy: -136.769 tors. eta vs tors. theta energy: -261.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -2887.783356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2887.783356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2887.783356 (E_RNA) where: Base-Base interactions energy: -1965.388 where: short stacking energy: -859.681 Base-Backbone interact. energy: 1.819 local terms energy: -924.213869 where: bonds (distance) C4'-P energy: -163.177 bonds (distance) P-C4' energy: -178.699 flat angles C4'-P-C4' energy: -197.291 flat angles P-C4'-P energy: -139.565 tors. eta vs tors. theta energy: -245.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -2810.765107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.765107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.765107 (E_RNA) where: Base-Base interactions energy: -1975.112 where: short stacking energy: -833.963 Base-Backbone interact. energy: -4.318 local terms energy: -831.334571 where: bonds (distance) C4'-P energy: -167.515 bonds (distance) P-C4' energy: -174.622 flat angles C4'-P-C4' energy: -182.274 flat angles P-C4'-P energy: -95.113 tors. eta vs tors. theta energy: -211.811 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: 10 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -2684.175320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.175320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.175320 (E_RNA) where: Base-Base interactions energy: -1839.870 where: short stacking energy: -793.914 Base-Backbone interact. energy: -3.857 local terms energy: -840.448135 where: bonds (distance) C4'-P energy: -173.820 bonds (distance) P-C4' energy: -154.497 flat angles C4'-P-C4' energy: -187.489 flat angles P-C4'-P energy: -107.202 tors. eta vs tors. theta energy: -217.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -2585.487471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2585.487471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2585.487471 (E_RNA) where: Base-Base interactions energy: -1756.201 where: short stacking energy: -751.857 Base-Backbone interact. energy: 0.651 local terms energy: -829.936720 where: bonds (distance) C4'-P energy: -169.108 bonds (distance) P-C4' energy: -156.000 flat angles C4'-P-C4' energy: -187.344 flat angles P-C4'-P energy: -109.098 tors. eta vs tors. theta energy: -208.387 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: 228 Temperature: 1.200000 Total energy: -2287.147959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.147959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.147959 (E_RNA) where: Base-Base interactions energy: -1555.917 where: short stacking energy: -659.615 Base-Backbone interact. energy: -4.301 local terms energy: -726.929270 where: bonds (distance) C4'-P energy: -155.689 bonds (distance) P-C4' energy: -149.036 flat angles C4'-P-C4' energy: -167.657 flat angles P-C4'-P energy: -98.007 tors. eta vs tors. theta energy: -156.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1970.528055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.528055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.528055 (E_RNA) where: Base-Base interactions energy: -1322.456 where: short stacking energy: -556.559 Base-Backbone interact. energy: 2.630 local terms energy: -650.701170 where: bonds (distance) C4'-P energy: -148.936 bonds (distance) P-C4' energy: -149.362 flat angles C4'-P-C4' energy: -149.127 flat angles P-C4'-P energy: -91.175 tors. eta vs tors. theta energy: -112.101 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: 3 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -1778.535199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.535199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.535199 (E_RNA) where: Base-Base interactions energy: -1145.981 where: short stacking energy: -524.261 Base-Backbone interact. energy: 0.678 local terms energy: -633.232237 where: bonds (distance) C4'-P energy: -141.990 bonds (distance) P-C4' energy: -131.244 flat angles C4'-P-C4' energy: -161.738 flat angles P-C4'-P energy: -86.072 tors. eta vs tors. theta energy: -112.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -1215.579645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.579645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.579645 (E_RNA) where: Base-Base interactions energy: -696.499 where: short stacking energy: -386.065 Base-Backbone interact. energy: 1.850 local terms energy: -520.930723 where: bonds (distance) C4'-P energy: -122.756 bonds (distance) P-C4' energy: -140.506 flat angles C4'-P-C4' energy: -145.142 flat angles P-C4'-P energy: -87.798 tors. eta vs tors. theta energy: -24.728 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: 1, replica: 2 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -3246.302646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.302646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.302646 (E_RNA) where: Base-Base interactions energy: -2246.094 where: short stacking energy: -982.673 Base-Backbone interact. energy: -3.873 local terms energy: -996.336021 where: bonds (distance) C4'-P energy: -180.805 bonds (distance) P-C4' energy: -170.845 flat angles C4'-P-C4' energy: -209.639 flat angles P-C4'-P energy: -150.405 tors. eta vs tors. theta energy: -284.642 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: 7 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -3098.654094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3098.654094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3098.654094 (E_RNA) where: Base-Base interactions energy: -2171.496 where: short stacking energy: -927.032 Base-Backbone interact. energy: -1.768 local terms energy: -925.390144 where: bonds (distance) C4'-P energy: -157.551 bonds (distance) P-C4' energy: -172.870 flat angles C4'-P-C4' energy: -203.113 flat angles P-C4'-P energy: -125.243 tors. eta vs tors. theta energy: -266.614 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: 4 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -2880.422278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.422278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.422278 (E_RNA) where: Base-Base interactions energy: -1953.544 where: short stacking energy: -866.159 Base-Backbone interact. energy: -1.769 local terms energy: -925.109528 where: bonds (distance) C4'-P energy: -159.443 bonds (distance) P-C4' energy: -150.441 flat angles C4'-P-C4' energy: -206.199 flat angles P-C4'-P energy: -145.894 tors. eta vs tors. theta energy: -263.133 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: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -2817.344277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.344277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.344277 (E_RNA) where: Base-Base interactions energy: -1982.526 where: short stacking energy: -831.823 Base-Backbone interact. energy: 8.166 local terms energy: -842.983961 where: bonds (distance) C4'-P energy: -173.262 bonds (distance) P-C4' energy: -163.788 flat angles C4'-P-C4' energy: -171.997 flat angles P-C4'-P energy: -113.997 tors. eta vs tors. theta energy: -219.939 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: 5, replica: 10 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -2629.562295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.562295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.562295 (E_RNA) where: Base-Base interactions energy: -1827.157 where: short stacking energy: -772.036 Base-Backbone interact. energy: 1.273 local terms energy: -803.678223 where: bonds (distance) C4'-P energy: -158.419 bonds (distance) P-C4' energy: -155.555 flat angles C4'-P-C4' energy: -178.785 flat angles P-C4'-P energy: -114.622 tors. eta vs tors. theta energy: -196.297 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: 1 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -2584.466899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.466899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.466899 (E_RNA) where: Base-Base interactions energy: -1792.197 where: short stacking energy: -775.700 Base-Backbone interact. energy: -1.000 local terms energy: -791.269292 where: bonds (distance) C4'-P energy: -162.246 bonds (distance) P-C4' energy: -145.986 flat angles C4'-P-C4' energy: -154.897 flat angles P-C4'-P energy: -103.389 tors. eta vs tors. theta energy: -224.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -2280.780288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2280.780288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2280.780288 (E_RNA) where: Base-Base interactions energy: -1524.381 where: short stacking energy: -679.365 Base-Backbone interact. energy: -1.038 local terms energy: -755.361396 where: bonds (distance) C4'-P energy: -155.997 bonds (distance) P-C4' energy: -141.691 flat angles C4'-P-C4' energy: -179.471 flat angles P-C4'-P energy: -101.861 tors. eta vs tors. theta energy: -176.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -2042.986468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.986468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.986468 (E_RNA) where: Base-Base interactions energy: -1396.985 where: short stacking energy: -602.776 Base-Backbone interact. energy: 8.147 local terms energy: -654.149239 where: bonds (distance) C4'-P energy: -142.965 bonds (distance) P-C4' energy: -137.824 flat angles C4'-P-C4' energy: -140.276 flat angles P-C4'-P energy: -96.063 tors. eta vs tors. theta energy: -137.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -1742.690871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.690871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.690871 (E_RNA) where: Base-Base interactions energy: -1120.417 where: short stacking energy: -507.305 Base-Backbone interact. energy: -0.735 local terms energy: -621.538853 where: bonds (distance) C4'-P energy: -131.615 bonds (distance) P-C4' energy: -137.206 flat angles C4'-P-C4' energy: -155.056 flat angles P-C4'-P energy: -94.982 tors. eta vs tors. theta energy: -102.680 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: 5 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -1270.014536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.014536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.014536 (E_RNA) where: Base-Base interactions energy: -757.416 where: short stacking energy: -365.446 Base-Backbone interact. energy: 3.966 local terms energy: -516.564338 where: bonds (distance) C4'-P energy: -142.862 bonds (distance) P-C4' energy: -150.747 flat angles C4'-P-C4' energy: -121.649 flat angles P-C4'-P energy: -58.812 tors. eta vs tors. theta energy: -42.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -3263.803033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.803033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.803033 (E_RNA) where: Base-Base interactions energy: -2258.216 where: short stacking energy: -980.122 Base-Backbone interact. energy: -3.501 local terms energy: -1002.086013 where: bonds (distance) C4'-P energy: -161.617 bonds (distance) P-C4' energy: -188.691 flat angles C4'-P-C4' energy: -211.498 flat angles P-C4'-P energy: -152.106 tors. eta vs tors. theta energy: -288.173 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: 7 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -3118.593888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.593888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.593888 (E_RNA) where: Base-Base interactions energy: -2200.395 where: short stacking energy: -920.342 Base-Backbone interact. energy: 2.270 local terms energy: -920.469226 where: bonds (distance) C4'-P energy: -166.271 bonds (distance) P-C4' energy: -153.099 flat angles C4'-P-C4' energy: -203.043 flat angles P-C4'-P energy: -123.205 tors. eta vs tors. theta energy: -274.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -2869.435650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.435650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.435650 (E_RNA) where: Base-Base interactions energy: -1944.896 where: short stacking energy: -877.276 Base-Backbone interact. energy: -5.065 local terms energy: -919.474826 where: bonds (distance) C4'-P energy: -167.589 bonds (distance) P-C4' energy: -152.845 flat angles C4'-P-C4' energy: -203.918 flat angles P-C4'-P energy: -132.175 tors. eta vs tors. theta energy: -262.947 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: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -2837.752268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.752268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.752268 (E_RNA) where: Base-Base interactions energy: -1969.516 where: short stacking energy: -806.679 Base-Backbone interact. energy: -4.461 local terms energy: -863.775680 where: bonds (distance) C4'-P energy: -160.276 bonds (distance) P-C4' energy: -163.131 flat angles C4'-P-C4' energy: -194.095 flat angles P-C4'-P energy: -116.353 tors. eta vs tors. theta energy: -229.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -2626.228832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2626.228832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2626.228832 (E_RNA) where: Base-Base interactions energy: -1781.987 where: short stacking energy: -771.046 Base-Backbone interact. energy: -4.104 local terms energy: -840.138086 where: bonds (distance) C4'-P energy: -164.638 bonds (distance) P-C4' energy: -164.678 flat angles C4'-P-C4' energy: -186.952 flat angles P-C4'-P energy: -112.255 tors. eta vs tors. theta energy: -211.616 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: 1 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -2537.672253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.672253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.672253 (E_RNA) where: Base-Base interactions energy: -1725.565 where: short stacking energy: -733.041 Base-Backbone interact. energy: -1.108 local terms energy: -810.999973 where: bonds (distance) C4'-P energy: -159.489 bonds (distance) P-C4' energy: -158.522 flat angles C4'-P-C4' energy: -168.000 flat angles P-C4'-P energy: -123.845 tors. eta vs tors. theta energy: -201.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -2247.937089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2247.937089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2247.937089 (E_RNA) where: Base-Base interactions energy: -1500.617 where: short stacking energy: -643.857 Base-Backbone interact. energy: -1.960 local terms energy: -745.360665 where: bonds (distance) C4'-P energy: -165.727 bonds (distance) P-C4' energy: -154.862 flat angles C4'-P-C4' energy: -151.867 flat angles P-C4'-P energy: -108.404 tors. eta vs tors. theta energy: -164.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -2097.770370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.770370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.770370 (E_RNA) where: Base-Base interactions energy: -1409.206 where: short stacking energy: -611.808 Base-Backbone interact. energy: -1.692 local terms energy: -686.872020 where: bonds (distance) C4'-P energy: -135.849 bonds (distance) P-C4' energy: -150.895 flat angles C4'-P-C4' energy: -165.453 flat angles P-C4'-P energy: -93.046 tors. eta vs tors. theta energy: -141.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -1768.660269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.660269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.660269 (E_RNA) where: Base-Base interactions energy: -1151.407 where: short stacking energy: -510.923 Base-Backbone interact. energy: -3.040 local terms energy: -614.213879 where: bonds (distance) C4'-P energy: -129.544 bonds (distance) P-C4' energy: -134.356 flat angles C4'-P-C4' energy: -145.161 flat angles P-C4'-P energy: -97.884 tors. eta vs tors. theta energy: -107.269 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: 5 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -1234.630918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.630918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.630918 (E_RNA) where: Base-Base interactions energy: -701.078 where: short stacking energy: -364.165 Base-Backbone interact. energy: 2.302 local terms energy: -535.855151 where: bonds (distance) C4'-P energy: -152.843 bonds (distance) P-C4' energy: -154.307 flat angles C4'-P-C4' energy: -119.903 flat angles P-C4'-P energy: -69.469 tors. eta vs tors. theta energy: -39.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -3214.471734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.471734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.471734 (E_RNA) where: Base-Base interactions energy: -2235.031 where: short stacking energy: -939.989 Base-Backbone interact. energy: 0.541 local terms energy: -979.980869 where: bonds (distance) C4'-P energy: -176.366 bonds (distance) P-C4' energy: -180.896 flat angles C4'-P-C4' energy: -209.105 flat angles P-C4'-P energy: -144.731 tors. eta vs tors. theta energy: -268.883 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: 2, replica: 7 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -3093.639097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.639097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.639097 (E_RNA) where: Base-Base interactions energy: -2136.760 where: short stacking energy: -916.280 Base-Backbone interact. energy: -1.941 local terms energy: -954.937715 where: bonds (distance) C4'-P energy: -170.745 bonds (distance) P-C4' energy: -171.869 flat angles C4'-P-C4' energy: -206.802 flat angles P-C4'-P energy: -139.802 tors. eta vs tors. theta energy: -265.720 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: 3, replica: 4 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -2951.113239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.113239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.113239 (E_RNA) where: Base-Base interactions energy: -2016.717 where: short stacking energy: -855.898 Base-Backbone interact. energy: -3.912 local terms energy: -930.484272 where: bonds (distance) C4'-P energy: -166.053 bonds (distance) P-C4' energy: -171.034 flat angles C4'-P-C4' energy: -199.577 flat angles P-C4'-P energy: -137.765 tors. eta vs tors. theta energy: -256.055 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: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -2835.305769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.305769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.305769 (E_RNA) where: Base-Base interactions energy: -1973.944 where: short stacking energy: -825.447 Base-Backbone interact. energy: -5.499 local terms energy: -855.862013 where: bonds (distance) C4'-P energy: -163.301 bonds (distance) P-C4' energy: -148.958 flat angles C4'-P-C4' energy: -190.657 flat angles P-C4'-P energy: -113.008 tors. eta vs tors. theta energy: -239.938 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: 10 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -2587.495036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.495036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.495036 (E_RNA) where: Base-Base interactions energy: -1806.619 where: short stacking energy: -755.614 Base-Backbone interact. energy: 0.416 local terms energy: -781.292155 where: bonds (distance) C4'-P energy: -149.397 bonds (distance) P-C4' energy: -160.556 flat angles C4'-P-C4' energy: -170.288 flat angles P-C4'-P energy: -117.038 tors. eta vs tors. theta energy: -184.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -2516.500063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.500063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.500063 (E_RNA) where: Base-Base interactions energy: -1713.755 where: short stacking energy: -731.859 Base-Backbone interact. energy: -1.604 local terms energy: -801.140564 where: bonds (distance) C4'-P energy: -167.605 bonds (distance) P-C4' energy: -157.199 flat angles C4'-P-C4' energy: -191.238 flat angles P-C4'-P energy: -107.965 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: 7, replica: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -2254.527176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2254.527176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2254.527176 (E_RNA) where: Base-Base interactions energy: -1528.941 where: short stacking energy: -663.835 Base-Backbone interact. energy: 1.376 local terms energy: -726.962039 where: bonds (distance) C4'-P energy: -154.447 bonds (distance) P-C4' energy: -135.138 flat angles C4'-P-C4' energy: -156.326 flat angles P-C4'-P energy: -110.583 tors. eta vs tors. theta energy: -170.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -2071.781117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.781117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.781117 (E_RNA) where: Base-Base interactions energy: -1375.314 where: short stacking energy: -595.990 Base-Backbone interact. energy: -1.773 local terms energy: -694.694267 where: bonds (distance) C4'-P energy: -154.572 bonds (distance) P-C4' energy: -150.591 flat angles C4'-P-C4' energy: -149.961 flat angles P-C4'-P energy: -103.525 tors. eta vs tors. theta energy: -136.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -1783.184139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.184139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.184139 (E_RNA) where: Base-Base interactions energy: -1170.630 where: short stacking energy: -511.557 Base-Backbone interact. energy: -2.772 local terms energy: -609.782806 where: bonds (distance) C4'-P energy: -138.560 bonds (distance) P-C4' energy: -141.507 flat angles C4'-P-C4' energy: -141.533 flat angles P-C4'-P energy: -94.284 tors. eta vs tors. theta energy: -93.898 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: 5 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -1222.563287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.563287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.563287 (E_RNA) where: Base-Base interactions energy: -710.240 where: short stacking energy: -340.951 Base-Backbone interact. energy: 1.839 local terms energy: -514.162506 where: bonds (distance) C4'-P energy: -146.737 bonds (distance) P-C4' energy: -153.223 flat angles C4'-P-C4' energy: -139.097 flat angles P-C4'-P energy: -70.168 tors. eta vs tors. theta energy: -4.937 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: 2 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -3206.213769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.213769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.213769 (E_RNA) where: Base-Base interactions energy: -2248.474 where: short stacking energy: -937.226 Base-Backbone interact. energy: 1.409 local terms energy: -959.148186 where: bonds (distance) C4'-P energy: -173.258 bonds (distance) P-C4' energy: -169.867 flat angles C4'-P-C4' energy: -206.868 flat angles P-C4'-P energy: -133.711 tors. eta vs tors. theta energy: -275.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -3083.802140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.802140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.802140 (E_RNA) where: Base-Base interactions energy: -2130.818 where: short stacking energy: -893.661 Base-Backbone interact. energy: 0.769 local terms energy: -953.752389 where: bonds (distance) C4'-P energy: -174.346 bonds (distance) P-C4' energy: -185.719 flat angles C4'-P-C4' energy: -194.576 flat angles P-C4'-P energy: -136.051 tors. eta vs tors. theta energy: -263.061 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: 4 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -2906.737469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.737469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.737469 (E_RNA) where: Base-Base interactions energy: -2004.325 where: short stacking energy: -881.735 Base-Backbone interact. energy: -2.490 local terms energy: -899.922063 where: bonds (distance) C4'-P energy: -163.001 bonds (distance) P-C4' energy: -171.462 flat angles C4'-P-C4' energy: -191.211 flat angles P-C4'-P energy: -125.333 tors. eta vs tors. theta energy: -248.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -2810.022473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.022473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.022473 (E_RNA) where: Base-Base interactions energy: -1905.953 where: short stacking energy: -813.011 Base-Backbone interact. energy: -1.334 local terms energy: -902.736032 where: bonds (distance) C4'-P energy: -186.604 bonds (distance) P-C4' energy: -169.087 flat angles C4'-P-C4' energy: -193.480 flat angles P-C4'-P energy: -125.182 tors. eta vs tors. theta energy: -228.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -2574.667871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.667871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.667871 (E_RNA) where: Base-Base interactions energy: -1762.203 where: short stacking energy: -772.894 Base-Backbone interact. energy: -3.175 local terms energy: -809.289521 where: bonds (distance) C4'-P energy: -167.043 bonds (distance) P-C4' energy: -162.024 flat angles C4'-P-C4' energy: -175.809 flat angles P-C4'-P energy: -110.267 tors. eta vs tors. theta energy: -194.146 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: 6, replica: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -2553.512485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.512485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.512485 (E_RNA) where: Base-Base interactions energy: -1746.971 where: short stacking energy: -772.439 Base-Backbone interact. energy: -1.591 local terms energy: -804.950727 where: bonds (distance) C4'-P energy: -156.559 bonds (distance) P-C4' energy: -152.199 flat angles C4'-P-C4' energy: -181.000 flat angles P-C4'-P energy: -111.192 tors. eta vs tors. theta energy: -204.001 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: 7, replica: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -2210.288069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2210.288069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2210.288069 (E_RNA) where: Base-Base interactions energy: -1482.999 where: short stacking energy: -631.575 Base-Backbone interact. energy: -2.527 local terms energy: -724.762373 where: bonds (distance) C4'-P energy: -155.729 bonds (distance) P-C4' energy: -152.111 flat angles C4'-P-C4' energy: -152.873 flat angles P-C4'-P energy: -102.796 tors. eta vs tors. theta energy: -161.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1970.535596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.535596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.535596 (E_RNA) where: Base-Base interactions energy: -1309.941 where: short stacking energy: -545.996 Base-Backbone interact. energy: 4.210 local terms energy: -664.804691 where: bonds (distance) C4'-P energy: -134.716 bonds (distance) P-C4' energy: -135.081 flat angles C4'-P-C4' energy: -168.810 flat angles P-C4'-P energy: -92.001 tors. eta vs tors. theta energy: -134.197 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: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -1778.662139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.662139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.662139 (E_RNA) where: Base-Base interactions energy: -1160.543 where: short stacking energy: -507.323 Base-Backbone interact. energy: 3.353 local terms energy: -621.472673 where: bonds (distance) C4'-P energy: -132.023 bonds (distance) P-C4' energy: -127.483 flat angles C4'-P-C4' energy: -147.677 flat angles P-C4'-P energy: -99.527 tors. eta vs tors. theta energy: -114.763 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: 5 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -1287.012353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.012353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.012353 (E_RNA) where: Base-Base interactions energy: -746.930 where: short stacking energy: -361.751 Base-Backbone interact. energy: 0.931 local terms energy: -541.012963 where: bonds (distance) C4'-P energy: -140.679 bonds (distance) P-C4' energy: -142.157 flat angles C4'-P-C4' energy: -123.015 flat angles P-C4'-P energy: -107.448 tors. eta vs tors. theta energy: -27.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -3218.078866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3218.078866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3218.078866 (E_RNA) where: Base-Base interactions energy: -2243.202 where: short stacking energy: -956.549 Base-Backbone interact. energy: -0.204 local terms energy: -974.673140 where: bonds (distance) C4'-P energy: -174.067 bonds (distance) P-C4' energy: -178.594 flat angles C4'-P-C4' energy: -204.280 flat angles P-C4'-P energy: -145.973 tors. eta vs tors. theta energy: -271.760 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: 7 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -3106.714897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.714897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.714897 (E_RNA) where: Base-Base interactions energy: -2157.281 where: short stacking energy: -909.256 Base-Backbone interact. energy: 0.579 local terms energy: -950.013016 where: bonds (distance) C4'-P energy: -172.713 bonds (distance) P-C4' energy: -173.949 flat angles C4'-P-C4' energy: -198.553 flat angles P-C4'-P energy: -126.657 tors. eta vs tors. theta energy: -278.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -2954.067903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.067903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.067903 (E_RNA) where: Base-Base interactions energy: -2013.376 where: short stacking energy: -883.130 Base-Backbone interact. energy: 7.176 local terms energy: -947.867887 where: bonds (distance) C4'-P energy: -173.004 bonds (distance) P-C4' energy: -179.588 flat angles C4'-P-C4' energy: -198.529 flat angles P-C4'-P energy: -139.128 tors. eta vs tors. theta energy: -257.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -2831.778926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.778926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.778926 (E_RNA) where: Base-Base interactions energy: -1992.268 where: short stacking energy: -827.852 Base-Backbone interact. energy: -3.559 local terms energy: -835.952310 where: bonds (distance) C4'-P energy: -144.486 bonds (distance) P-C4' energy: -170.380 flat angles C4'-P-C4' energy: -186.486 flat angles P-C4'-P energy: -107.939 tors. eta vs tors. theta energy: -226.662 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: 10 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -2563.856034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.856034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.856034 (E_RNA) where: Base-Base interactions energy: -1773.277 where: short stacking energy: -760.445 Base-Backbone interact. energy: 1.446 local terms energy: -792.024992 where: bonds (distance) C4'-P energy: -155.342 bonds (distance) P-C4' energy: -153.137 flat angles C4'-P-C4' energy: -181.245 flat angles P-C4'-P energy: -106.359 tors. eta vs tors. theta energy: -195.943 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: 6, replica: 1 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -2593.832233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.832233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.832233 (E_RNA) where: Base-Base interactions energy: -1778.488 where: short stacking energy: -773.123 Base-Backbone interact. energy: -3.181 local terms energy: -812.163612 where: bonds (distance) C4'-P energy: -136.867 bonds (distance) P-C4' energy: -166.854 flat angles C4'-P-C4' energy: -172.801 flat angles P-C4'-P energy: -107.571 tors. eta vs tors. theta energy: -228.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -2228.115270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2228.115270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2228.115270 (E_RNA) where: Base-Base interactions energy: -1489.428 where: short stacking energy: -654.750 Base-Backbone interact. energy: 2.650 local terms energy: -741.337008 where: bonds (distance) C4'-P energy: -134.817 bonds (distance) P-C4' energy: -161.635 flat angles C4'-P-C4' energy: -179.928 flat angles P-C4'-P energy: -97.873 tors. eta vs tors. theta energy: -167.084 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: 9 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -2054.360021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.360021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.360021 (E_RNA) where: Base-Base interactions energy: -1384.789 where: short stacking energy: -608.918 Base-Backbone interact. energy: 5.130 local terms energy: -674.701152 where: bonds (distance) C4'-P energy: -135.475 bonds (distance) P-C4' energy: -171.892 flat angles C4'-P-C4' energy: -130.593 flat angles P-C4'-P energy: -105.804 tors. eta vs tors. theta energy: -130.937 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: 3 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -1768.341165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.341165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.341165 (E_RNA) where: Base-Base interactions energy: -1153.755 where: short stacking energy: -502.459 Base-Backbone interact. energy: 4.105 local terms energy: -618.691291 where: bonds (distance) C4'-P energy: -142.475 bonds (distance) P-C4' energy: -139.051 flat angles C4'-P-C4' energy: -169.732 flat angles P-C4'-P energy: -83.565 tors. eta vs tors. theta energy: -83.868 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: 5 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -1303.890200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.890200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.890200 (E_RNA) where: Base-Base interactions energy: -763.348 where: short stacking energy: -389.059 Base-Backbone interact. energy: -4.154 local terms energy: -536.388647 where: bonds (distance) C4'-P energy: -141.955 bonds (distance) P-C4' energy: -149.474 flat angles C4'-P-C4' energy: -130.550 flat angles P-C4'-P energy: -65.652 tors. eta vs tors. theta energy: -48.757 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: 2 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -3209.879973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.879973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.879973 (E_RNA) where: Base-Base interactions energy: -2238.196 where: short stacking energy: -952.445 Base-Backbone interact. energy: -1.902 local terms energy: -969.781757 where: bonds (distance) C4'-P energy: -165.918 bonds (distance) P-C4' energy: -181.887 flat angles C4'-P-C4' energy: -206.136 flat angles P-C4'-P energy: -141.368 tors. eta vs tors. theta energy: -274.474 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: 7 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -3111.516566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.516566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.516566 (E_RNA) where: Base-Base interactions energy: -2151.064 where: short stacking energy: -926.231 Base-Backbone interact. energy: -0.315 local terms energy: -960.137000 where: bonds (distance) C4'-P energy: -172.293 bonds (distance) P-C4' energy: -186.942 flat angles C4'-P-C4' energy: -195.264 flat angles P-C4'-P energy: -137.766 tors. eta vs tors. theta energy: -267.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -2943.199636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.199636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.199636 (E_RNA) where: Base-Base interactions energy: -2031.615 where: short stacking energy: -865.424 Base-Backbone interact. energy: 0.695 local terms energy: -912.279084 where: bonds (distance) C4'-P energy: -184.455 bonds (distance) P-C4' energy: -155.100 flat angles C4'-P-C4' energy: -182.221 flat angles P-C4'-P energy: -128.574 tors. eta vs tors. theta energy: -261.930 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: 4, replica: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -2853.675296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2853.675296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2853.675296 (E_RNA) where: Base-Base interactions energy: -1966.747 where: short stacking energy: -830.864 Base-Backbone interact. energy: 0.598 local terms energy: -887.526305 where: bonds (distance) C4'-P energy: -174.164 bonds (distance) P-C4' energy: -161.010 flat angles C4'-P-C4' energy: -195.696 flat angles P-C4'-P energy: -127.561 tors. eta vs tors. theta energy: -229.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -2672.747829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2672.747829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2672.747829 (E_RNA) where: Base-Base interactions energy: -1836.167 where: short stacking energy: -806.164 Base-Backbone interact. energy: -2.271 local terms energy: -834.310021 where: bonds (distance) C4'-P energy: -141.922 bonds (distance) P-C4' energy: -170.945 flat angles C4'-P-C4' energy: -178.379 flat angles P-C4'-P energy: -123.604 tors. eta vs tors. theta energy: -219.460 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: 10 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -2493.860826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.860826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.860826 (E_RNA) where: Base-Base interactions energy: -1759.064 where: short stacking energy: -722.713 Base-Backbone interact. energy: -3.779 local terms energy: -731.017769 where: bonds (distance) C4'-P energy: -122.477 bonds (distance) P-C4' energy: -152.059 flat angles C4'-P-C4' energy: -171.434 flat angles P-C4'-P energy: -103.242 tors. eta vs tors. theta energy: -181.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -2362.708652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.708652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.708652 (E_RNA) where: Base-Base interactions energy: -1581.584 where: short stacking energy: -702.600 Base-Backbone interact. energy: -3.431 local terms energy: -777.693471 where: bonds (distance) C4'-P energy: -164.527 bonds (distance) P-C4' energy: -152.837 flat angles C4'-P-C4' energy: -157.695 flat angles P-C4'-P energy: -116.542 tors. eta vs tors. theta energy: -186.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1993.166677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.166677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.166677 (E_RNA) where: Base-Base interactions energy: -1339.641 where: short stacking energy: -593.530 Base-Backbone interact. energy: 7.455 local terms energy: -660.980948 where: bonds (distance) C4'-P energy: -141.187 bonds (distance) P-C4' energy: -151.503 flat angles C4'-P-C4' energy: -155.559 flat angles P-C4'-P energy: -90.845 tors. eta vs tors. theta energy: -121.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -1762.374334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.374334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.374334 (E_RNA) where: Base-Base interactions energy: -1153.364 where: short stacking energy: -486.662 Base-Backbone interact. energy: 7.619 local terms energy: -616.629538 where: bonds (distance) C4'-P energy: -130.120 bonds (distance) P-C4' energy: -149.956 flat angles C4'-P-C4' energy: -150.539 flat angles P-C4'-P energy: -100.647 tors. eta vs tors. theta energy: -85.367 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: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -1307.855431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.855431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.855431 (E_RNA) where: Base-Base interactions energy: -768.118 where: short stacking energy: -383.231 Base-Backbone interact. energy: 4.076 local terms energy: -543.813176 where: bonds (distance) C4'-P energy: -140.132 bonds (distance) P-C4' energy: -154.586 flat angles C4'-P-C4' energy: -118.145 flat angles P-C4'-P energy: -70.899 tors. eta vs tors. theta energy: -60.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -3221.535762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.535762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.535762 (E_RNA) where: Base-Base interactions energy: -2227.035 where: short stacking energy: -964.598 Base-Backbone interact. energy: -1.251 local terms energy: -993.250317 where: bonds (distance) C4'-P energy: -161.296 bonds (distance) P-C4' energy: -198.551 flat angles C4'-P-C4' energy: -228.864 flat angles P-C4'-P energy: -133.906 tors. eta vs tors. theta energy: -270.632 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: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -3097.438150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.438150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.438150 (E_RNA) where: Base-Base interactions energy: -2147.096 where: short stacking energy: -884.181 Base-Backbone interact. energy: -5.922 local terms energy: -944.420430 where: bonds (distance) C4'-P energy: -166.922 bonds (distance) P-C4' energy: -174.257 flat angles C4'-P-C4' energy: -190.742 flat angles P-C4'-P energy: -154.151 tors. eta vs tors. theta energy: -258.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -2943.977055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2943.977055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2943.977055 (E_RNA) where: Base-Base interactions energy: -2037.886 where: short stacking energy: -879.752 Base-Backbone interact. energy: -0.319 local terms energy: -905.772055 where: bonds (distance) C4'-P energy: -167.570 bonds (distance) P-C4' energy: -169.359 flat angles C4'-P-C4' energy: -194.699 flat angles P-C4'-P energy: -106.608 tors. eta vs tors. theta energy: -267.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -2829.006541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2829.006541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2829.006541 (E_RNA) where: Base-Base interactions energy: -1951.033 where: short stacking energy: -822.649 Base-Backbone interact. energy: -3.251 local terms energy: -874.722539 where: bonds (distance) C4'-P energy: -154.374 bonds (distance) P-C4' energy: -170.356 flat angles C4'-P-C4' energy: -197.399 flat angles P-C4'-P energy: -123.322 tors. eta vs tors. theta energy: -229.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -2651.695858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.695858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.695858 (E_RNA) where: Base-Base interactions energy: -1833.668 where: short stacking energy: -768.600 Base-Backbone interact. energy: -5.610 local terms energy: -812.418189 where: bonds (distance) C4'-P energy: -139.587 bonds (distance) P-C4' energy: -155.857 flat angles C4'-P-C4' energy: -184.331 flat angles P-C4'-P energy: -116.958 tors. eta vs tors. theta energy: -215.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -2550.449572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.449572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.449572 (E_RNA) where: Base-Base interactions energy: -1743.807 where: short stacking energy: -734.705 Base-Backbone interact. energy: -6.498 local terms energy: -800.144332 where: bonds (distance) C4'-P energy: -139.735 bonds (distance) P-C4' energy: -179.054 flat angles C4'-P-C4' energy: -173.628 flat angles P-C4'-P energy: -115.478 tors. eta vs tors. theta energy: -192.251 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: 6 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -2302.242847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2302.242847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2302.242847 (E_RNA) where: Base-Base interactions energy: -1536.880 where: short stacking energy: -667.471 Base-Backbone interact. energy: -2.476 local terms energy: -762.887094 where: bonds (distance) C4'-P energy: -148.197 bonds (distance) P-C4' energy: -142.686 flat angles C4'-P-C4' energy: -176.550 flat angles P-C4'-P energy: -114.433 tors. eta vs tors. theta energy: -181.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -2005.219693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.219693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.219693 (E_RNA) where: Base-Base interactions energy: -1302.685 where: short stacking energy: -573.045 Base-Backbone interact. energy: -2.094 local terms energy: -700.440523 where: bonds (distance) C4'-P energy: -152.387 bonds (distance) P-C4' energy: -160.172 flat angles C4'-P-C4' energy: -152.443 flat angles P-C4'-P energy: -96.041 tors. eta vs tors. theta energy: -139.397 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: 3 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -1880.142102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.142102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.142102 (E_RNA) where: Base-Base interactions energy: -1237.391 where: short stacking energy: -564.047 Base-Backbone interact. energy: -6.024 local terms energy: -636.726377 where: bonds (distance) C4'-P energy: -119.536 bonds (distance) P-C4' energy: -143.339 flat angles C4'-P-C4' energy: -165.389 flat angles P-C4'-P energy: -89.937 tors. eta vs tors. theta energy: -118.525 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: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -1406.992772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.992772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.992772 (E_RNA) where: Base-Base interactions energy: -857.816 where: short stacking energy: -405.902 Base-Backbone interact. energy: 7.507 local terms energy: -556.683731 where: bonds (distance) C4'-P energy: -136.706 bonds (distance) P-C4' energy: -138.040 flat angles C4'-P-C4' energy: -145.162 flat angles P-C4'-P energy: -83.631 tors. eta vs tors. theta energy: -53.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -3224.863818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3224.863818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3224.863818 (E_RNA) where: Base-Base interactions energy: -2240.274 where: short stacking energy: -953.019 Base-Backbone interact. energy: -3.524 local terms energy: -981.066195 where: bonds (distance) C4'-P energy: -182.532 bonds (distance) P-C4' energy: -185.517 flat angles C4'-P-C4' energy: -200.194 flat angles P-C4'-P energy: -144.628 tors. eta vs tors. theta energy: -268.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -3100.730935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3100.730935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3100.730935 (E_RNA) where: Base-Base interactions energy: -2159.180 where: short stacking energy: -917.660 Base-Backbone interact. energy: 2.422 local terms energy: -943.973336 where: bonds (distance) C4'-P energy: -156.255 bonds (distance) P-C4' energy: -174.527 flat angles C4'-P-C4' energy: -203.346 flat angles P-C4'-P energy: -139.592 tors. eta vs tors. theta energy: -270.253 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: 8 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -2966.578224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.578224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.578224 (E_RNA) where: Base-Base interactions energy: -2052.351 where: short stacking energy: -853.045 Base-Backbone interact. energy: -5.458 local terms energy: -908.769340 where: bonds (distance) C4'-P energy: -170.047 bonds (distance) P-C4' energy: -164.840 flat angles C4'-P-C4' energy: -203.641 flat angles P-C4'-P energy: -132.497 tors. eta vs tors. theta energy: -237.744 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: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -2846.478574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.478574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.478574 (E_RNA) where: Base-Base interactions energy: -1943.302 where: short stacking energy: -839.945 Base-Backbone interact. energy: 0.285 local terms energy: -903.461447 where: bonds (distance) C4'-P energy: -159.028 bonds (distance) P-C4' energy: -177.103 flat angles C4'-P-C4' energy: -196.907 flat angles P-C4'-P energy: -121.918 tors. eta vs tors. theta energy: -248.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -2734.744714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.744714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.744714 (E_RNA) where: Base-Base interactions energy: -1893.522 where: short stacking energy: -767.758 Base-Backbone interact. energy: 0.455 local terms energy: -841.677883 where: bonds (distance) C4'-P energy: -162.500 bonds (distance) P-C4' energy: -170.939 flat angles C4'-P-C4' energy: -171.890 flat angles P-C4'-P energy: -118.064 tors. eta vs tors. theta energy: -218.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -2581.183938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.183938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.183938 (E_RNA) where: Base-Base interactions energy: -1800.235 where: short stacking energy: -720.594 Base-Backbone interact. energy: -2.040 local terms energy: -778.909317 where: bonds (distance) C4'-P energy: -165.887 bonds (distance) P-C4' energy: -156.683 flat angles C4'-P-C4' energy: -171.709 flat angles P-C4'-P energy: -100.645 tors. eta vs tors. theta energy: -183.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -2331.287272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.287272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.287272 (E_RNA) where: Base-Base interactions energy: -1534.882 where: short stacking energy: -660.607 Base-Backbone interact. energy: -3.557 local terms energy: -792.847977 where: bonds (distance) C4'-P energy: -162.699 bonds (distance) P-C4' energy: -170.106 flat angles C4'-P-C4' energy: -172.869 flat angles P-C4'-P energy: -120.195 tors. eta vs tors. theta energy: -166.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1929.753653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1929.753653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1929.753653 (E_RNA) where: Base-Base interactions energy: -1305.751 where: short stacking energy: -569.118 Base-Backbone interact. energy: 0.714 local terms energy: -624.716531 where: bonds (distance) C4'-P energy: -126.762 bonds (distance) P-C4' energy: -144.666 flat angles C4'-P-C4' energy: -163.640 flat angles P-C4'-P energy: -80.041 tors. eta vs tors. theta energy: -109.608 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: 9, replica: 3 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -1870.412705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.412705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.412705 (E_RNA) where: Base-Base interactions energy: -1240.425 where: short stacking energy: -550.543 Base-Backbone interact. energy: -1.550 local terms energy: -628.437502 where: bonds (distance) C4'-P energy: -154.536 bonds (distance) P-C4' energy: -135.644 flat angles C4'-P-C4' energy: -139.262 flat angles P-C4'-P energy: -81.029 tors. eta vs tors. theta energy: -117.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -1361.340640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.340640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.340640 (E_RNA) where: Base-Base interactions energy: -865.204 where: short stacking energy: -407.689 Base-Backbone interact. energy: -0.548 local terms energy: -495.588595 where: bonds (distance) C4'-P energy: -128.717 bonds (distance) P-C4' energy: -139.066 flat angles C4'-P-C4' energy: -129.200 flat angles P-C4'-P energy: -74.118 tors. eta vs tors. theta energy: -24.488 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: 2 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -3199.745663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3199.745663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3199.745663 (E_RNA) where: Base-Base interactions energy: -2226.552 where: short stacking energy: -977.395 Base-Backbone interact. energy: -0.991 local terms energy: -972.203502 where: bonds (distance) C4'-P energy: -175.851 bonds (distance) P-C4' energy: -169.249 flat angles C4'-P-C4' energy: -197.515 flat angles P-C4'-P energy: -149.675 tors. eta vs tors. theta energy: -279.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -3138.916953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.916953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.916953 (E_RNA) where: Base-Base interactions energy: -2185.819 where: short stacking energy: -935.080 Base-Backbone interact. energy: -2.631 local terms energy: -950.467123 where: bonds (distance) C4'-P energy: -166.073 bonds (distance) P-C4' energy: -181.527 flat angles C4'-P-C4' energy: -199.639 flat angles P-C4'-P energy: -132.578 tors. eta vs tors. theta energy: -270.650 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: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -2967.003327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2967.003327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2967.003327 (E_RNA) where: Base-Base interactions energy: -2078.114 where: short stacking energy: -842.802 Base-Backbone interact. energy: -0.870 local terms energy: -888.019366 where: bonds (distance) C4'-P energy: -160.442 bonds (distance) P-C4' energy: -174.438 flat angles C4'-P-C4' energy: -195.342 flat angles P-C4'-P energy: -122.959 tors. eta vs tors. theta energy: -234.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -2879.699784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.699784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.699784 (E_RNA) where: Base-Base interactions energy: -1968.039 where: short stacking energy: -855.080 Base-Backbone interact. energy: -3.410 local terms energy: -908.250363 where: bonds (distance) C4'-P energy: -153.658 bonds (distance) P-C4' energy: -168.928 flat angles C4'-P-C4' energy: -210.090 flat angles P-C4'-P energy: -126.160 tors. eta vs tors. theta energy: -249.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -2804.478361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.478361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.478361 (E_RNA) where: Base-Base interactions energy: -1922.511 where: short stacking energy: -831.740 Base-Backbone interact. energy: -3.625 local terms energy: -878.342343 where: bonds (distance) C4'-P energy: -165.110 bonds (distance) P-C4' energy: -168.957 flat angles C4'-P-C4' energy: -191.388 flat angles P-C4'-P energy: -123.417 tors. eta vs tors. theta energy: -229.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -2567.402023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2567.402023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2567.402023 (E_RNA) where: Base-Base interactions energy: -1769.352 where: short stacking energy: -759.794 Base-Backbone interact. energy: -7.418 local terms energy: -790.632006 where: bonds (distance) C4'-P energy: -159.470 bonds (distance) P-C4' energy: -164.395 flat angles C4'-P-C4' energy: -184.639 flat angles P-C4'-P energy: -107.288 tors. eta vs tors. theta energy: -174.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -2290.400021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2290.400021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2290.400021 (E_RNA) where: Base-Base interactions energy: -1496.712 where: short stacking energy: -691.274 Base-Backbone interact. energy: -1.933 local terms energy: -791.755527 where: bonds (distance) C4'-P energy: -148.910 bonds (distance) P-C4' energy: -163.684 flat angles C4'-P-C4' energy: -190.434 flat angles P-C4'-P energy: -120.320 tors. eta vs tors. theta energy: -168.407 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: 8, replica: 9 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1982.670996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1982.670996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1982.670996 (E_RNA) where: Base-Base interactions energy: -1320.476 where: short stacking energy: -576.929 Base-Backbone interact. energy: 2.079 local terms energy: -664.274225 where: bonds (distance) C4'-P energy: -131.884 bonds (distance) P-C4' energy: -169.283 flat angles C4'-P-C4' energy: -158.171 flat angles P-C4'-P energy: -76.800 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: 9, replica: 3 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -1824.985784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.985784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.985784 (E_RNA) where: Base-Base interactions energy: -1207.235 where: short stacking energy: -544.849 Base-Backbone interact. energy: -0.080 local terms energy: -617.670276 where: bonds (distance) C4'-P energy: -131.422 bonds (distance) P-C4' energy: -140.672 flat angles C4'-P-C4' energy: -156.947 flat angles P-C4'-P energy: -81.910 tors. eta vs tors. theta energy: -106.719 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: 5 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -1366.746865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.746865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.746865 (E_RNA) where: Base-Base interactions energy: -830.899 where: short stacking energy: -410.773 Base-Backbone interact. energy: 3.800 local terms energy: -539.647677 where: bonds (distance) C4'-P energy: -150.448 bonds (distance) P-C4' energy: -143.728 flat angles C4'-P-C4' energy: -123.942 flat angles P-C4'-P energy: -77.475 tors. eta vs tors. theta energy: -44.056 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: 2 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -3203.259034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.259034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.259034 (E_RNA) where: Base-Base interactions energy: -2244.048 where: short stacking energy: -981.125 Base-Backbone interact. energy: -4.227 local terms energy: -954.984354 where: bonds (distance) C4'-P energy: -181.803 bonds (distance) P-C4' energy: -173.867 flat angles C4'-P-C4' energy: -207.283 flat angles P-C4'-P energy: -117.883 tors. eta vs tors. theta energy: -274.148 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: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -3086.005584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.005584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.005584 (E_RNA) where: Base-Base interactions energy: -2127.529 where: short stacking energy: -903.252 Base-Backbone interact. energy: -4.408 local terms energy: -954.069133 where: bonds (distance) C4'-P energy: -168.787 bonds (distance) P-C4' energy: -186.166 flat angles C4'-P-C4' energy: -205.155 flat angles P-C4'-P energy: -138.669 tors. eta vs tors. theta energy: -255.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -2985.079818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.079818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.079818 (E_RNA) where: Base-Base interactions energy: -2065.768 where: short stacking energy: -876.314 Base-Backbone interact. energy: -3.556 local terms energy: -915.754992 where: bonds (distance) C4'-P energy: -168.703 bonds (distance) P-C4' energy: -186.208 flat angles C4'-P-C4' energy: -186.501 flat angles P-C4'-P energy: -117.856 tors. eta vs tors. theta energy: -256.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -2909.689364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.689364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.689364 (E_RNA) where: Base-Base interactions energy: -2045.428 where: short stacking energy: -881.968 Base-Backbone interact. energy: -3.823 local terms energy: -860.438503 where: bonds (distance) C4'-P energy: -153.215 bonds (distance) P-C4' energy: -152.137 flat angles C4'-P-C4' energy: -188.761 flat angles P-C4'-P energy: -127.017 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: 1 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -2792.534785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.534785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.534785 (E_RNA) where: Base-Base interactions energy: -1923.036 where: short stacking energy: -833.401 Base-Backbone interact. energy: -1.638 local terms energy: -867.860254 where: bonds (distance) C4'-P energy: -151.363 bonds (distance) P-C4' energy: -175.276 flat angles C4'-P-C4' energy: -192.864 flat angles P-C4'-P energy: -117.606 tors. eta vs tors. theta energy: -230.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -2507.189998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.189998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.189998 (E_RNA) where: Base-Base interactions energy: -1749.584 where: short stacking energy: -746.332 Base-Backbone interact. energy: -7.570 local terms energy: -750.035896 where: bonds (distance) C4'-P energy: -143.034 bonds (distance) P-C4' energy: -140.140 flat angles C4'-P-C4' energy: -173.545 flat angles P-C4'-P energy: -93.747 tors. eta vs tors. theta energy: -199.571 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: 6 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -2384.525385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.525385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.525385 (E_RNA) where: Base-Base interactions energy: -1603.698 where: short stacking energy: -707.230 Base-Backbone interact. energy: -5.424 local terms energy: -775.403035 where: bonds (distance) C4'-P energy: -160.546 bonds (distance) P-C4' energy: -154.214 flat angles C4'-P-C4' energy: -169.683 flat angles P-C4'-P energy: -103.380 tors. eta vs tors. theta energy: -187.580 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: 8, replica: 9 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -2030.167330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.167330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.167330 (E_RNA) where: Base-Base interactions energy: -1369.725 where: short stacking energy: -621.220 Base-Backbone interact. energy: -1.896 local terms energy: -658.547074 where: bonds (distance) C4'-P energy: -136.220 bonds (distance) P-C4' energy: -141.894 flat angles C4'-P-C4' energy: -144.885 flat angles P-C4'-P energy: -113.570 tors. eta vs tors. theta energy: -121.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -1781.594296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.594296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.594296 (E_RNA) where: Base-Base interactions energy: -1149.515 where: short stacking energy: -514.369 Base-Backbone interact. energy: 1.881 local terms energy: -633.960369 where: bonds (distance) C4'-P energy: -153.329 bonds (distance) P-C4' energy: -151.036 flat angles C4'-P-C4' energy: -132.321 flat angles P-C4'-P energy: -91.840 tors. eta vs tors. theta energy: -105.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -1410.492541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.492541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.492541 (E_RNA) where: Base-Base interactions energy: -850.393 where: short stacking energy: -382.687 Base-Backbone interact. energy: 2.832 local terms energy: -562.931217 where: bonds (distance) C4'-P energy: -152.749 bonds (distance) P-C4' energy: -153.681 flat angles C4'-P-C4' energy: -122.656 flat angles P-C4'-P energy: -103.984 tors. eta vs tors. theta energy: -29.862 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: 2 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -3246.587000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.587000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.587000 (E_RNA) where: Base-Base interactions energy: -2248.868 where: short stacking energy: -951.370 Base-Backbone interact. energy: -4.947 local terms energy: -992.771761 where: bonds (distance) C4'-P energy: -193.520 bonds (distance) P-C4' energy: -178.653 flat angles C4'-P-C4' energy: -202.526 flat angles P-C4'-P energy: -142.626 tors. eta vs tors. theta energy: -275.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -3122.757013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.757013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.757013 (E_RNA) where: Base-Base interactions energy: -2186.880 where: short stacking energy: -936.228 Base-Backbone interact. energy: -5.108 local terms energy: -930.768991 where: bonds (distance) C4'-P energy: -158.433 bonds (distance) P-C4' energy: -177.043 flat angles C4'-P-C4' energy: -197.010 flat angles P-C4'-P energy: -130.854 tors. eta vs tors. theta energy: -267.430 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: 3, replica: 4 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -2903.805540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.805540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.805540 (E_RNA) where: Base-Base interactions energy: -2029.291 where: short stacking energy: -857.263 Base-Backbone interact. energy: -1.656 local terms energy: -872.858294 where: bonds (distance) C4'-P energy: -169.155 bonds (distance) P-C4' energy: -163.196 flat angles C4'-P-C4' energy: -189.124 flat angles P-C4'-P energy: -110.064 tors. eta vs tors. theta energy: -241.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -2823.450272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.450272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.450272 (E_RNA) where: Base-Base interactions energy: -1937.673 where: short stacking energy: -844.967 Base-Backbone interact. energy: -2.168 local terms energy: -883.608713 where: bonds (distance) C4'-P energy: -151.981 bonds (distance) P-C4' energy: -168.824 flat angles C4'-P-C4' energy: -188.801 flat angles P-C4'-P energy: -137.954 tors. eta vs tors. theta energy: -236.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -2787.986524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.986524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.986524 (E_RNA) where: Base-Base interactions energy: -1954.265 where: short stacking energy: -762.193 Base-Backbone interact. energy: -1.077 local terms energy: -832.644334 where: bonds (distance) C4'-P energy: -158.919 bonds (distance) P-C4' energy: -178.701 flat angles C4'-P-C4' energy: -189.234 flat angles P-C4'-P energy: -95.567 tors. eta vs tors. theta energy: -210.224 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: 10 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -2506.053012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.053012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.053012 (E_RNA) where: Base-Base interactions energy: -1700.945 where: short stacking energy: -720.909 Base-Backbone interact. energy: -3.787 local terms energy: -801.320885 where: bonds (distance) C4'-P energy: -154.179 bonds (distance) P-C4' energy: -170.687 flat angles C4'-P-C4' energy: -189.538 flat angles P-C4'-P energy: -106.301 tors. eta vs tors. theta energy: -180.617 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: 7, replica: 6 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -2422.806852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.806852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.806852 (E_RNA) where: Base-Base interactions energy: -1629.126 where: short stacking energy: -726.215 Base-Backbone interact. energy: -1.729 local terms energy: -791.952090 where: bonds (distance) C4'-P energy: -134.111 bonds (distance) P-C4' energy: -151.350 flat angles C4'-P-C4' energy: -179.570 flat angles P-C4'-P energy: -122.015 tors. eta vs tors. theta energy: -204.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1985.995680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.995680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.995680 (E_RNA) where: Base-Base interactions energy: -1322.567 where: short stacking energy: -547.825 Base-Backbone interact. energy: -0.127 local terms energy: -663.301866 where: bonds (distance) C4'-P energy: -148.754 bonds (distance) P-C4' energy: -135.746 flat angles C4'-P-C4' energy: -163.550 flat angles P-C4'-P energy: -100.726 tors. eta vs tors. theta energy: -114.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -1780.736834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.736834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.736834 (E_RNA) where: Base-Base interactions energy: -1148.511 where: short stacking energy: -521.559 Base-Backbone interact. energy: -3.840 local terms energy: -628.386243 where: bonds (distance) C4'-P energy: -122.359 bonds (distance) P-C4' energy: -144.307 flat angles C4'-P-C4' energy: -169.085 flat angles P-C4'-P energy: -84.749 tors. eta vs tors. theta energy: -107.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -1448.259884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.259884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.259884 (E_RNA) where: Base-Base interactions energy: -897.905 where: short stacking energy: -438.954 Base-Backbone interact. energy: 0.410 local terms energy: -550.764156 where: bonds (distance) C4'-P energy: -131.297 bonds (distance) P-C4' energy: -168.672 flat angles C4'-P-C4' energy: -120.176 flat angles P-C4'-P energy: -83.980 tors. eta vs tors. theta energy: -46.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -3185.951364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3185.951364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3185.951364 (E_RNA) where: Base-Base interactions energy: -2209.040 where: short stacking energy: -962.521 Base-Backbone interact. energy: 1.514 local terms energy: -978.425140 where: bonds (distance) C4'-P energy: -166.765 bonds (distance) P-C4' energy: -191.010 flat angles C4'-P-C4' energy: -206.366 flat angles P-C4'-P energy: -132.812 tors. eta vs tors. theta energy: -281.472 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: 2 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -3175.611538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.611538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.611538 (E_RNA) where: Base-Base interactions energy: -2195.649 where: short stacking energy: -951.203 Base-Backbone interact. energy: 0.591 local terms energy: -980.553968 where: bonds (distance) C4'-P energy: -184.901 bonds (distance) P-C4' energy: -172.801 flat angles C4'-P-C4' energy: -210.325 flat angles P-C4'-P energy: -138.441 tors. eta vs tors. theta energy: -274.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -2966.611304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.611304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.611304 (E_RNA) where: Base-Base interactions energy: -2034.145 where: short stacking energy: -885.641 Base-Backbone interact. energy: -1.650 local terms energy: -930.815829 where: bonds (distance) C4'-P energy: -167.253 bonds (distance) P-C4' energy: -170.227 flat angles C4'-P-C4' energy: -199.867 flat angles P-C4'-P energy: -129.162 tors. eta vs tors. theta energy: -264.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -2827.909394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.909394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.909394 (E_RNA) where: Base-Base interactions energy: -1995.931 where: short stacking energy: -844.357 Base-Backbone interact. energy: -2.004 local terms energy: -829.974368 where: bonds (distance) C4'-P energy: -155.091 bonds (distance) P-C4' energy: -153.816 flat angles C4'-P-C4' energy: -181.920 flat angles P-C4'-P energy: -116.655 tors. eta vs tors. theta energy: -222.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -2734.453866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.453866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.453866 (E_RNA) where: Base-Base interactions energy: -1867.637 where: short stacking energy: -783.738 Base-Backbone interact. energy: -4.203 local terms energy: -862.613950 where: bonds (distance) C4'-P energy: -162.850 bonds (distance) P-C4' energy: -167.930 flat angles C4'-P-C4' energy: -183.136 flat angles P-C4'-P energy: -122.766 tors. eta vs tors. theta energy: -225.932 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: 6, replica: 10 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -2494.841379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.841379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.841379 (E_RNA) where: Base-Base interactions energy: -1708.542 where: short stacking energy: -726.222 Base-Backbone interact. energy: -0.513 local terms energy: -785.786543 where: bonds (distance) C4'-P energy: -141.343 bonds (distance) P-C4' energy: -172.199 flat angles C4'-P-C4' energy: -162.267 flat angles P-C4'-P energy: -121.425 tors. eta vs tors. theta energy: -188.553 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: 7, replica: 6 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -2373.909279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2373.909279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2373.909279 (E_RNA) where: Base-Base interactions energy: -1653.854 where: short stacking energy: -724.370 Base-Backbone interact. energy: -1.850 local terms energy: -718.205159 where: bonds (distance) C4'-P energy: -129.197 bonds (distance) P-C4' energy: -128.482 flat angles C4'-P-C4' energy: -171.311 flat angles P-C4'-P energy: -108.213 tors. eta vs tors. theta energy: -181.002 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: 9 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -2015.787880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.787880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.787880 (E_RNA) where: Base-Base interactions energy: -1340.348 where: short stacking energy: -562.418 Base-Backbone interact. energy: 2.279 local terms energy: -677.719479 where: bonds (distance) C4'-P energy: -147.159 bonds (distance) P-C4' energy: -149.614 flat angles C4'-P-C4' energy: -165.832 flat angles P-C4'-P energy: -88.995 tors. eta vs tors. theta energy: -126.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -1821.383788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.383788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.383788 (E_RNA) where: Base-Base interactions energy: -1174.129 where: short stacking energy: -538.974 Base-Backbone interact. energy: 3.340 local terms energy: -650.594359 where: bonds (distance) C4'-P energy: -130.209 bonds (distance) P-C4' energy: -154.606 flat angles C4'-P-C4' energy: -160.921 flat angles P-C4'-P energy: -88.926 tors. eta vs tors. theta energy: -115.934 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: 5 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -1313.560874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.560874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.560874 (E_RNA) where: Base-Base interactions energy: -783.409 where: short stacking energy: -378.788 Base-Backbone interact. energy: 2.315 local terms energy: -532.466842 where: bonds (distance) C4'-P energy: -146.960 bonds (distance) P-C4' energy: -123.325 flat angles C4'-P-C4' energy: -132.215 flat angles P-C4'-P energy: -78.466 tors. eta vs tors. theta energy: -51.500 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: 7 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -3168.470908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.470908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.470908 (E_RNA) where: Base-Base interactions energy: -2177.074 where: short stacking energy: -902.636 Base-Backbone interact. energy: -5.046 local terms energy: -986.350570 where: bonds (distance) C4'-P energy: -187.159 bonds (distance) P-C4' energy: -187.992 flat angles C4'-P-C4' energy: -200.909 flat angles P-C4'-P energy: -143.156 tors. eta vs tors. theta energy: -267.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -3192.655805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.655805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.655805 (E_RNA) where: Base-Base interactions energy: -2241.884 where: short stacking energy: -947.016 Base-Backbone interact. energy: -3.768 local terms energy: -947.003826 where: bonds (distance) C4'-P energy: -162.520 bonds (distance) P-C4' energy: -164.157 flat angles C4'-P-C4' energy: -205.104 flat angles P-C4'-P energy: -140.783 tors. eta vs tors. theta energy: -274.440 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: 4 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -2902.272280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.272280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.272280 (E_RNA) where: Base-Base interactions energy: -1986.398 where: short stacking energy: -861.358 Base-Backbone interact. energy: -3.549 local terms energy: -912.325488 where: bonds (distance) C4'-P energy: -161.802 bonds (distance) P-C4' energy: -173.227 flat angles C4'-P-C4' energy: -195.496 flat angles P-C4'-P energy: -132.850 tors. eta vs tors. theta energy: -248.951 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: 1 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -2881.825239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.825239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.825239 (E_RNA) where: Base-Base interactions energy: -1996.929 where: short stacking energy: -877.587 Base-Backbone interact. energy: -0.287 local terms energy: -884.608957 where: bonds (distance) C4'-P energy: -162.342 bonds (distance) P-C4' energy: -173.057 flat angles C4'-P-C4' energy: -183.874 flat angles P-C4'-P energy: -113.700 tors. eta vs tors. theta energy: -251.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -2739.966932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2739.966932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2739.966932 (E_RNA) where: Base-Base interactions energy: -1933.569 where: short stacking energy: -794.929 Base-Backbone interact. energy: -1.030 local terms energy: -805.367063 where: bonds (distance) C4'-P energy: -150.806 bonds (distance) P-C4' energy: -168.373 flat angles C4'-P-C4' energy: -157.100 flat angles P-C4'-P energy: -114.698 tors. eta vs tors. theta energy: -214.390 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: 10 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -2537.679374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.679374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.679374 (E_RNA) where: Base-Base interactions energy: -1754.326 where: short stacking energy: -731.660 Base-Backbone interact. energy: -1.640 local terms energy: -781.713999 where: bonds (distance) C4'-P energy: -142.046 bonds (distance) P-C4' energy: -150.508 flat angles C4'-P-C4' energy: -185.195 flat angles P-C4'-P energy: -130.665 tors. eta vs tors. theta energy: -173.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -2267.832180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2267.832180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2267.832180 (E_RNA) where: Base-Base interactions energy: -1556.250 where: short stacking energy: -672.156 Base-Backbone interact. energy: -0.176 local terms energy: -711.406752 where: bonds (distance) C4'-P energy: -150.706 bonds (distance) P-C4' energy: -136.323 flat angles C4'-P-C4' energy: -155.022 flat angles P-C4'-P energy: -110.030 tors. eta vs tors. theta energy: -159.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -2034.557511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2034.557511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2034.557511 (E_RNA) where: Base-Base interactions energy: -1354.369 where: short stacking energy: -595.927 Base-Backbone interact. energy: 5.150 local terms energy: -685.339148 where: bonds (distance) C4'-P energy: -164.381 bonds (distance) P-C4' energy: -126.198 flat angles C4'-P-C4' energy: -157.549 flat angles P-C4'-P energy: -93.922 tors. eta vs tors. theta energy: -143.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -1835.025734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.025734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.025734 (E_RNA) where: Base-Base interactions energy: -1202.625 where: short stacking energy: -558.200 Base-Backbone interact. energy: 0.536 local terms energy: -632.937005 where: bonds (distance) C4'-P energy: -136.432 bonds (distance) P-C4' energy: -138.784 flat angles C4'-P-C4' energy: -147.007 flat angles P-C4'-P energy: -92.805 tors. eta vs tors. theta energy: -117.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -1387.337321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.337321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.337321 (E_RNA) where: Base-Base interactions energy: -860.567 where: short stacking energy: -388.664 Base-Backbone interact. energy: -2.967 local terms energy: -523.803075 where: bonds (distance) C4'-P energy: -129.072 bonds (distance) P-C4' energy: -141.915 flat angles C4'-P-C4' energy: -137.817 flat angles P-C4'-P energy: -69.403 tors. eta vs tors. theta energy: -45.595 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: 2 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -3241.091452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3241.091452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3241.091452 (E_RNA) where: Base-Base interactions energy: -2270.400 where: short stacking energy: -963.914 Base-Backbone interact. energy: -3.324 local terms energy: -967.367516 where: bonds (distance) C4'-P energy: -181.454 bonds (distance) P-C4' energy: -178.794 flat angles C4'-P-C4' energy: -195.396 flat angles P-C4'-P energy: -138.638 tors. eta vs tors. theta energy: -273.086 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: 7 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -3122.165607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.165607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.165607 (E_RNA) where: Base-Base interactions energy: -2182.373 where: short stacking energy: -898.563 Base-Backbone interact. energy: -3.847 local terms energy: -935.945671 where: bonds (distance) C4'-P energy: -168.672 bonds (distance) P-C4' energy: -170.125 flat angles C4'-P-C4' energy: -202.278 flat angles P-C4'-P energy: -132.255 tors. eta vs tors. theta energy: -262.616 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: 4 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -2899.652736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.652736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.652736 (E_RNA) where: Base-Base interactions energy: -1991.184 where: short stacking energy: -869.700 Base-Backbone interact. energy: -0.466 local terms energy: -908.002744 where: bonds (distance) C4'-P energy: -155.161 bonds (distance) P-C4' energy: -174.121 flat angles C4'-P-C4' energy: -199.459 flat angles P-C4'-P energy: -133.525 tors. eta vs tors. theta energy: -245.736 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: 1 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -2851.843908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.843908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.843908 (E_RNA) where: Base-Base interactions energy: -1991.294 where: short stacking energy: -874.014 Base-Backbone interact. energy: -3.391 local terms energy: -857.157996 where: bonds (distance) C4'-P energy: -153.933 bonds (distance) P-C4' energy: -159.643 flat angles C4'-P-C4' energy: -176.404 flat angles P-C4'-P energy: -127.270 tors. eta vs tors. theta energy: -239.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -2744.074227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.074227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.074227 (E_RNA) where: Base-Base interactions energy: -1896.889 where: short stacking energy: -823.121 Base-Backbone interact. energy: 2.182 local terms energy: -849.367338 where: bonds (distance) C4'-P energy: -151.650 bonds (distance) P-C4' energy: -159.694 flat angles C4'-P-C4' energy: -196.224 flat angles P-C4'-P energy: -121.419 tors. eta vs tors. theta energy: -220.380 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: 10 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -2518.116357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2518.116357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2518.116357 (E_RNA) where: Base-Base interactions energy: -1740.628 where: short stacking energy: -723.503 Base-Backbone interact. energy: -5.027 local terms energy: -772.460642 where: bonds (distance) C4'-P energy: -153.841 bonds (distance) P-C4' energy: -163.126 flat angles C4'-P-C4' energy: -162.544 flat angles P-C4'-P energy: -109.992 tors. eta vs tors. theta energy: -182.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -2221.937365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2221.937365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2221.937365 (E_RNA) where: Base-Base interactions energy: -1520.038 where: short stacking energy: -642.697 Base-Backbone interact. energy: -2.147 local terms energy: -699.752637 where: bonds (distance) C4'-P energy: -154.350 bonds (distance) P-C4' energy: -158.530 flat angles C4'-P-C4' energy: -150.964 flat angles P-C4'-P energy: -80.336 tors. eta vs tors. theta energy: -155.574 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: 9 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -2056.538358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2056.538358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2056.538358 (E_RNA) where: Base-Base interactions energy: -1379.839 where: short stacking energy: -599.603 Base-Backbone interact. energy: -2.896 local terms energy: -673.803491 where: bonds (distance) C4'-P energy: -127.800 bonds (distance) P-C4' energy: -154.736 flat angles C4'-P-C4' energy: -157.336 flat angles P-C4'-P energy: -97.172 tors. eta vs tors. theta energy: -136.760 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: 3 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -1815.532819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.532819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.532819 (E_RNA) where: Base-Base interactions energy: -1153.616 where: short stacking energy: -494.130 Base-Backbone interact. energy: -2.205 local terms energy: -659.712722 where: bonds (distance) C4'-P energy: -150.921 bonds (distance) P-C4' energy: -156.377 flat angles C4'-P-C4' energy: -171.113 flat angles P-C4'-P energy: -79.900 tors. eta vs tors. theta energy: -101.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -1343.112012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.112012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.112012 (E_RNA) where: Base-Base interactions energy: -787.335 where: short stacking energy: -374.171 Base-Backbone interact. energy: -2.419 local terms energy: -553.358339 where: bonds (distance) C4'-P energy: -144.327 bonds (distance) P-C4' energy: -150.745 flat angles C4'-P-C4' energy: -142.485 flat angles P-C4'-P energy: -81.875 tors. eta vs tors. theta energy: -33.926 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: 1, replica: 2 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -3264.440630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.440630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.440630 (E_RNA) where: Base-Base interactions energy: -2262.776 where: short stacking energy: -965.929 Base-Backbone interact. energy: -2.839 local terms energy: -998.825517 where: bonds (distance) C4'-P energy: -196.158 bonds (distance) P-C4' energy: -174.647 flat angles C4'-P-C4' energy: -210.694 flat angles P-C4'-P energy: -144.374 tors. eta vs tors. theta energy: -272.952 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: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -3120.962892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.962892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.962892 (E_RNA) where: Base-Base interactions energy: -2151.439 where: short stacking energy: -945.593 Base-Backbone interact. energy: 3.356 local terms energy: -972.879503 where: bonds (distance) C4'-P energy: -169.989 bonds (distance) P-C4' energy: -185.246 flat angles C4'-P-C4' energy: -200.350 flat angles P-C4'-P energy: -142.561 tors. eta vs tors. theta energy: -274.734 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: 4 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -2916.603375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.603375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.603375 (E_RNA) where: Base-Base interactions energy: -1996.365 where: short stacking energy: -837.887 Base-Backbone interact. energy: -0.972 local terms energy: -919.266055 where: bonds (distance) C4'-P energy: -158.266 bonds (distance) P-C4' energy: -184.500 flat angles C4'-P-C4' energy: -196.360 flat angles P-C4'-P energy: -124.852 tors. eta vs tors. theta energy: -255.289 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: 243 Temperature: 1.050000 Total energy: -2839.736808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.736808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.736808 (E_RNA) where: Base-Base interactions energy: -1956.525 where: short stacking energy: -863.323 Base-Backbone interact. energy: -2.478 local terms energy: -880.734395 where: bonds (distance) C4'-P energy: -158.515 bonds (distance) P-C4' energy: -151.592 flat angles C4'-P-C4' energy: -196.525 flat angles P-C4'-P energy: -126.079 tors. eta vs tors. theta energy: -248.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -2695.936263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.936263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.936263 (E_RNA) where: Base-Base interactions energy: -1864.202 where: short stacking energy: -772.245 Base-Backbone interact. energy: -3.504 local terms energy: -828.230120 where: bonds (distance) C4'-P energy: -141.639 bonds (distance) P-C4' energy: -172.599 flat angles C4'-P-C4' energy: -184.986 flat angles P-C4'-P energy: -116.860 tors. eta vs tors. theta energy: -212.146 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: 6, replica: 10 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -2543.944792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.944792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.944792 (E_RNA) where: Base-Base interactions energy: -1774.713 where: short stacking energy: -743.463 Base-Backbone interact. energy: 1.284 local terms energy: -770.515680 where: bonds (distance) C4'-P energy: -160.121 bonds (distance) P-C4' energy: -136.193 flat angles C4'-P-C4' energy: -168.496 flat angles P-C4'-P energy: -123.521 tors. eta vs tors. theta energy: -182.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -2272.114348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2272.114348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2272.114348 (E_RNA) where: Base-Base interactions energy: -1503.287 where: short stacking energy: -665.896 Base-Backbone interact. energy: -0.726 local terms energy: -768.100991 where: bonds (distance) C4'-P energy: -162.763 bonds (distance) P-C4' energy: -146.949 flat angles C4'-P-C4' energy: -175.501 flat angles P-C4'-P energy: -100.748 tors. eta vs tors. theta energy: -182.140 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: 8, replica: 9 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -2119.189559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2119.189559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2119.189559 (E_RNA) where: Base-Base interactions energy: -1414.998 where: short stacking energy: -613.591 Base-Backbone interact. energy: 2.302 local terms energy: -706.493115 where: bonds (distance) C4'-P energy: -151.013 bonds (distance) P-C4' energy: -158.634 flat angles C4'-P-C4' energy: -162.108 flat angles P-C4'-P energy: -97.041 tors. eta vs tors. theta energy: -137.698 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: 9, replica: 3 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -1780.220737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.220737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.220737 (E_RNA) where: Base-Base interactions energy: -1152.625 where: short stacking energy: -507.283 Base-Backbone interact. energy: -1.742 local terms energy: -625.853951 where: bonds (distance) C4'-P energy: -157.011 bonds (distance) P-C4' energy: -130.077 flat angles C4'-P-C4' energy: -138.754 flat angles P-C4'-P energy: -86.780 tors. eta vs tors. theta energy: -113.232 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: 10, replica: 5 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -1301.895335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.895335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.895335 (E_RNA) where: Base-Base interactions energy: -793.732 where: short stacking energy: -379.761 Base-Backbone interact. energy: -0.593 local terms energy: -507.569739 where: bonds (distance) C4'-P energy: -136.275 bonds (distance) P-C4' energy: -144.697 flat angles C4'-P-C4' energy: -127.581 flat angles P-C4'-P energy: -71.902 tors. eta vs tors. theta energy: -27.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -3285.425244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.425244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.425244 (E_RNA) where: Base-Base interactions energy: -2277.694 where: short stacking energy: -966.466 Base-Backbone interact. energy: -1.097 local terms energy: -1006.634213 where: bonds (distance) C4'-P energy: -192.832 bonds (distance) P-C4' energy: -179.232 flat angles C4'-P-C4' energy: -205.131 flat angles P-C4'-P energy: -148.282 tors. eta vs tors. theta energy: -281.157 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: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -3093.178955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.178955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.178955 (E_RNA) where: Base-Base interactions energy: -2129.978 where: short stacking energy: -936.417 Base-Backbone interact. energy: -1.229 local terms energy: -961.972049 where: bonds (distance) C4'-P energy: -165.506 bonds (distance) P-C4' energy: -173.938 flat angles C4'-P-C4' energy: -198.564 flat angles P-C4'-P energy: -149.946 tors. eta vs tors. theta energy: -274.019 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: 3, replica: 4 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -2896.205920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.205920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.205920 (E_RNA) where: Base-Base interactions energy: -2009.023 where: short stacking energy: -857.584 Base-Backbone interact. energy: -4.174 local terms energy: -883.008649 where: bonds (distance) C4'-P energy: -174.988 bonds (distance) P-C4' energy: -168.132 flat angles C4'-P-C4' energy: -188.602 flat angles P-C4'-P energy: -113.031 tors. eta vs tors. theta energy: -238.255 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: 1 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -2891.371413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.371413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.371413 (E_RNA) where: Base-Base interactions energy: -1977.838 where: short stacking energy: -858.393 Base-Backbone interact. energy: -2.157 local terms energy: -911.376177 where: bonds (distance) C4'-P energy: -177.617 bonds (distance) P-C4' energy: -163.383 flat angles C4'-P-C4' energy: -187.753 flat angles P-C4'-P energy: -127.748 tors. eta vs tors. theta energy: -254.875 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: 5, replica: 8 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -2690.110254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.110254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.110254 (E_RNA) where: Base-Base interactions energy: -1859.788 where: short stacking energy: -788.215 Base-Backbone interact. energy: -3.766 local terms energy: -826.556108 where: bonds (distance) C4'-P energy: -168.954 bonds (distance) P-C4' energy: -168.792 flat angles C4'-P-C4' energy: -170.594 flat angles P-C4'-P energy: -112.809 tors. eta vs tors. theta energy: -205.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -2480.238401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.238401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.238401 (E_RNA) where: Base-Base interactions energy: -1727.328 where: short stacking energy: -739.153 Base-Backbone interact. energy: -0.543 local terms energy: -752.367465 where: bonds (distance) C4'-P energy: -134.763 bonds (distance) P-C4' energy: -151.629 flat angles C4'-P-C4' energy: -173.905 flat angles P-C4'-P energy: -108.558 tors. eta vs tors. theta energy: -183.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -2340.254281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2340.254281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2340.254281 (E_RNA) where: Base-Base interactions energy: -1584.158 where: short stacking energy: -693.993 Base-Backbone interact. energy: -0.076 local terms energy: -756.020628 where: bonds (distance) C4'-P energy: -155.772 bonds (distance) P-C4' energy: -140.014 flat angles C4'-P-C4' energy: -175.258 flat angles P-C4'-P energy: -120.373 tors. eta vs tors. theta energy: -164.603 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: 9 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -2084.226416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2084.226416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2084.226416 (E_RNA) where: Base-Base interactions energy: -1408.780 where: short stacking energy: -605.969 Base-Backbone interact. energy: 3.452 local terms energy: -678.897757 where: bonds (distance) C4'-P energy: -143.768 bonds (distance) P-C4' energy: -152.712 flat angles C4'-P-C4' energy: -160.698 flat angles P-C4'-P energy: -90.176 tors. eta vs tors. theta energy: -131.544 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: 9, replica: 3 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -1715.523587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.523587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.523587 (E_RNA) where: Base-Base interactions energy: -1107.150 where: short stacking energy: -501.787 Base-Backbone interact. energy: 4.771 local terms energy: -613.144160 where: bonds (distance) C4'-P energy: -124.056 bonds (distance) P-C4' energy: -137.443 flat angles C4'-P-C4' energy: -149.838 flat angles P-C4'-P energy: -100.913 tors. eta vs tors. theta energy: -100.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -1311.234053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.234053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.234053 (E_RNA) where: Base-Base interactions energy: -790.519 where: short stacking energy: -373.724 Base-Backbone interact. energy: -0.512 local terms energy: -520.203390 where: bonds (distance) C4'-P energy: -133.728 bonds (distance) P-C4' energy: -150.809 flat angles C4'-P-C4' energy: -127.234 flat angles P-C4'-P energy: -80.943 tors. eta vs tors. theta energy: -27.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -3241.019007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3241.019007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3241.019007 (E_RNA) where: Base-Base interactions energy: -2279.337 where: short stacking energy: -955.332 Base-Backbone interact. energy: -3.666 local terms energy: -958.016069 where: bonds (distance) C4'-P energy: -157.645 bonds (distance) P-C4' energy: -171.686 flat angles C4'-P-C4' energy: -215.703 flat angles P-C4'-P energy: -145.812 tors. eta vs tors. theta energy: -267.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -3087.471659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.471659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.471659 (E_RNA) where: Base-Base interactions energy: -2141.406 where: short stacking energy: -929.362 Base-Backbone interact. energy: -3.998 local terms energy: -942.067742 where: bonds (distance) C4'-P energy: -161.623 bonds (distance) P-C4' energy: -161.939 flat angles C4'-P-C4' energy: -204.162 flat angles P-C4'-P energy: -130.464 tors. eta vs tors. theta energy: -283.881 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: 4 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -2916.074378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2916.074378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2916.074378 (E_RNA) where: Base-Base interactions energy: -1974.198 where: short stacking energy: -831.074 Base-Backbone interact. energy: -5.329 local terms energy: -936.547082 where: bonds (distance) C4'-P energy: -169.359 bonds (distance) P-C4' energy: -175.090 flat angles C4'-P-C4' energy: -210.106 flat angles P-C4'-P energy: -143.148 tors. eta vs tors. theta energy: -238.844 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: 1 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -2869.253614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.253614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.253614 (E_RNA) where: Base-Base interactions energy: -1965.543 where: short stacking energy: -845.218 Base-Backbone interact. energy: -0.653 local terms energy: -903.057378 where: bonds (distance) C4'-P energy: -160.458 bonds (distance) P-C4' energy: -174.224 flat angles C4'-P-C4' energy: -194.222 flat angles P-C4'-P energy: -124.546 tors. eta vs tors. theta energy: -249.607 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: 8 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -2686.013267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.013267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.013267 (E_RNA) where: Base-Base interactions energy: -1837.117 where: short stacking energy: -749.180 Base-Backbone interact. energy: -2.465 local terms energy: -846.431677 where: bonds (distance) C4'-P energy: -163.477 bonds (distance) P-C4' energy: -160.357 flat angles C4'-P-C4' energy: -196.473 flat angles P-C4'-P energy: -114.568 tors. eta vs tors. theta energy: -211.556 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: 6, replica: 10 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -2429.175408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.175408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.175408 (E_RNA) where: Base-Base interactions energy: -1684.824 where: short stacking energy: -668.283 Base-Backbone interact. energy: 1.488 local terms energy: -745.839772 where: bonds (distance) C4'-P energy: -143.464 bonds (distance) P-C4' energy: -146.789 flat angles C4'-P-C4' energy: -165.649 flat angles P-C4'-P energy: -109.726 tors. eta vs tors. theta energy: -180.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -2328.621742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2328.621742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2328.621742 (E_RNA) where: Base-Base interactions energy: -1543.102 where: short stacking energy: -680.796 Base-Backbone interact. energy: 6.385 local terms energy: -791.904766 where: bonds (distance) C4'-P energy: -162.772 bonds (distance) P-C4' energy: -169.032 flat angles C4'-P-C4' energy: -153.523 flat angles P-C4'-P energy: -113.558 tors. eta vs tors. theta energy: -193.020 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: 9 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -2083.519404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.519404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.519404 (E_RNA) where: Base-Base interactions energy: -1430.262 where: short stacking energy: -608.276 Base-Backbone interact. energy: -2.805 local terms energy: -650.452368 where: bonds (distance) C4'-P energy: -129.239 bonds (distance) P-C4' energy: -141.060 flat angles C4'-P-C4' energy: -138.322 flat angles P-C4'-P energy: -124.768 tors. eta vs tors. theta energy: -117.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -1742.283073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.283073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.283073 (E_RNA) where: Base-Base interactions energy: -1057.287 where: short stacking energy: -490.825 Base-Backbone interact. energy: -2.288 local terms energy: -682.708303 where: bonds (distance) C4'-P energy: -168.140 bonds (distance) P-C4' energy: -166.786 flat angles C4'-P-C4' energy: -158.368 flat angles P-C4'-P energy: -95.856 tors. eta vs tors. theta energy: -93.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -1323.176870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.176870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.176870 (E_RNA) where: Base-Base interactions energy: -779.132 where: short stacking energy: -383.055 Base-Backbone interact. energy: -1.221 local terms energy: -542.823848 where: bonds (distance) C4'-P energy: -140.324 bonds (distance) P-C4' energy: -131.324 flat angles C4'-P-C4' energy: -137.537 flat angles P-C4'-P energy: -88.681 tors. eta vs tors. theta energy: -44.959 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: 2 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -3219.431234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.431234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.431234 (E_RNA) where: Base-Base interactions energy: -2243.261 where: short stacking energy: -958.870 Base-Backbone interact. energy: -5.668 local terms energy: -970.502019 where: bonds (distance) C4'-P energy: -184.676 bonds (distance) P-C4' energy: -172.465 flat angles C4'-P-C4' energy: -209.443 flat angles P-C4'-P energy: -132.226 tors. eta vs tors. theta energy: -271.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -3085.061626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3085.061626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3085.061626 (E_RNA) where: Base-Base interactions energy: -2134.717 where: short stacking energy: -913.755 Base-Backbone interact. energy: -5.399 local terms energy: -944.945089 where: bonds (distance) C4'-P energy: -185.943 bonds (distance) P-C4' energy: -176.156 flat angles C4'-P-C4' energy: -195.720 flat angles P-C4'-P energy: -119.455 tors. eta vs tors. theta energy: -267.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -2955.762238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2955.762238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2955.762238 (E_RNA) where: Base-Base interactions energy: -2058.040 where: short stacking energy: -877.465 Base-Backbone interact. energy: -2.179 local terms energy: -895.543346 where: bonds (distance) C4'-P energy: -149.506 bonds (distance) P-C4' energy: -179.243 flat angles C4'-P-C4' energy: -197.927 flat angles P-C4'-P energy: -122.903 tors. eta vs tors. theta energy: -245.965 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: 246 Temperature: 1.050000 Total energy: -2815.886151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.886151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.886151 (E_RNA) where: Base-Base interactions energy: -1924.865 where: short stacking energy: -837.705 Base-Backbone interact. energy: -3.611 local terms energy: -887.410108 where: bonds (distance) C4'-P energy: -164.890 bonds (distance) P-C4' energy: -152.086 flat angles C4'-P-C4' energy: -194.505 flat angles P-C4'-P energy: -121.564 tors. eta vs tors. theta energy: -254.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -2688.564403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.564403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.564403 (E_RNA) where: Base-Base interactions energy: -1878.726 where: short stacking energy: -770.019 Base-Backbone interact. energy: -0.938 local terms energy: -808.900345 where: bonds (distance) C4'-P energy: -156.155 bonds (distance) P-C4' energy: -154.935 flat angles C4'-P-C4' energy: -188.483 flat angles P-C4'-P energy: -103.232 tors. eta vs tors. theta energy: -206.096 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: 6, replica: 10 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -2461.908631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2461.908631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2461.908631 (E_RNA) where: Base-Base interactions energy: -1697.978 where: short stacking energy: -734.334 Base-Backbone interact. energy: -4.650 local terms energy: -759.280469 where: bonds (distance) C4'-P energy: -161.366 bonds (distance) P-C4' energy: -127.031 flat angles C4'-P-C4' energy: -164.108 flat angles P-C4'-P energy: -117.904 tors. eta vs tors. theta energy: -188.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -2300.740120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.740120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.740120 (E_RNA) where: Base-Base interactions energy: -1559.406 where: short stacking energy: -673.466 Base-Backbone interact. energy: -1.507 local terms energy: -739.827448 where: bonds (distance) C4'-P energy: -131.258 bonds (distance) P-C4' energy: -160.026 flat angles C4'-P-C4' energy: -178.924 flat angles P-C4'-P energy: -119.539 tors. eta vs tors. theta energy: -150.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -2110.352367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.352367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.352367 (E_RNA) where: Base-Base interactions energy: -1426.157 where: short stacking energy: -609.588 Base-Backbone interact. energy: -2.428 local terms energy: -681.767076 where: bonds (distance) C4'-P energy: -133.665 bonds (distance) P-C4' energy: -162.889 flat angles C4'-P-C4' energy: -150.940 flat angles P-C4'-P energy: -84.361 tors. eta vs tors. theta energy: -149.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -1729.083621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.083621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.083621 (E_RNA) where: Base-Base interactions energy: -1147.078 where: short stacking energy: -503.558 Base-Backbone interact. energy: 1.720 local terms energy: -583.725715 where: bonds (distance) C4'-P energy: -126.717 bonds (distance) P-C4' energy: -155.196 flat angles C4'-P-C4' energy: -135.985 flat angles P-C4'-P energy: -80.079 tors. eta vs tors. theta energy: -85.748 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: 5 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -1335.359075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.359075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.359075 (E_RNA) where: Base-Base interactions energy: -762.656 where: short stacking energy: -381.882 Base-Backbone interact. energy: 9.641 local terms energy: -582.343815 where: bonds (distance) C4'-P energy: -128.650 bonds (distance) P-C4' energy: -157.008 flat angles C4'-P-C4' energy: -159.002 flat angles P-C4'-P energy: -86.033 tors. eta vs tors. theta energy: -51.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -3267.652037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3267.652037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3267.652037 (E_RNA) where: Base-Base interactions energy: -2284.133 where: short stacking energy: -1001.932 Base-Backbone interact. energy: 3.462 local terms energy: -986.981091 where: bonds (distance) C4'-P energy: -179.597 bonds (distance) P-C4' energy: -180.692 flat angles C4'-P-C4' energy: -208.994 flat angles P-C4'-P energy: -129.776 tors. eta vs tors. theta energy: -287.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -3121.195810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.195810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.195810 (E_RNA) where: Base-Base interactions energy: -2152.716 where: short stacking energy: -918.118 Base-Backbone interact. energy: 2.433 local terms energy: -970.912940 where: bonds (distance) C4'-P energy: -169.428 bonds (distance) P-C4' energy: -178.129 flat angles C4'-P-C4' energy: -195.379 flat angles P-C4'-P energy: -139.067 tors. eta vs tors. theta energy: -288.910 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: 247 Temperature: 1.000000 Total energy: -2932.794518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.794518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.794518 (E_RNA) where: Base-Base interactions energy: -1998.892 where: short stacking energy: -882.143 Base-Backbone interact. energy: -4.252 local terms energy: -929.650979 where: bonds (distance) C4'-P energy: -174.682 bonds (distance) P-C4' energy: -186.326 flat angles C4'-P-C4' energy: -194.606 flat angles P-C4'-P energy: -110.174 tors. eta vs tors. theta energy: -263.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -2851.224747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.224747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.224747 (E_RNA) where: Base-Base interactions energy: -1964.845 where: short stacking energy: -826.469 Base-Backbone interact. energy: -2.062 local terms energy: -884.317623 where: bonds (distance) C4'-P energy: -167.563 bonds (distance) P-C4' energy: -173.810 flat angles C4'-P-C4' energy: -190.923 flat angles P-C4'-P energy: -128.110 tors. eta vs tors. theta energy: -223.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -2677.565824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.565824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.565824 (E_RNA) where: Base-Base interactions energy: -1878.609 where: short stacking energy: -807.014 Base-Backbone interact. energy: -1.196 local terms energy: -797.760304 where: bonds (distance) C4'-P energy: -154.441 bonds (distance) P-C4' energy: -144.870 flat angles C4'-P-C4' energy: -179.648 flat angles P-C4'-P energy: -106.005 tors. eta vs tors. theta energy: -212.795 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: 10 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -2396.809505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2396.809505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2396.809505 (E_RNA) where: Base-Base interactions energy: -1609.957 where: short stacking energy: -667.546 Base-Backbone interact. energy: -2.462 local terms energy: -784.390181 where: bonds (distance) C4'-P energy: -169.690 bonds (distance) P-C4' energy: -167.170 flat angles C4'-P-C4' energy: -167.318 flat angles P-C4'-P energy: -117.506 tors. eta vs tors. theta energy: -162.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -2336.680517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.680517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.680517 (E_RNA) where: Base-Base interactions energy: -1553.475 where: short stacking energy: -695.091 Base-Backbone interact. energy: 5.265 local terms energy: -788.470403 where: bonds (distance) C4'-P energy: -149.984 bonds (distance) P-C4' energy: -166.923 flat angles C4'-P-C4' energy: -180.846 flat angles P-C4'-P energy: -110.683 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: 8, replica: 9 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -2057.940914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2057.940914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2057.940914 (E_RNA) where: Base-Base interactions energy: -1380.930 where: short stacking energy: -579.012 Base-Backbone interact. energy: 0.513 local terms energy: -677.523481 where: bonds (distance) C4'-P energy: -119.514 bonds (distance) P-C4' energy: -164.643 flat angles C4'-P-C4' energy: -174.315 flat angles P-C4'-P energy: -100.360 tors. eta vs tors. theta energy: -118.691 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: 3 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -1780.551853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.551853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.551853 (E_RNA) where: Base-Base interactions energy: -1167.032 where: short stacking energy: -536.204 Base-Backbone interact. energy: -0.983 local terms energy: -612.536528 where: bonds (distance) C4'-P energy: -133.795 bonds (distance) P-C4' energy: -145.948 flat angles C4'-P-C4' energy: -143.895 flat angles P-C4'-P energy: -75.488 tors. eta vs tors. theta energy: -113.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -1355.767941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.767941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.767941 (E_RNA) where: Base-Base interactions energy: -842.731 where: short stacking energy: -404.905 Base-Backbone interact. energy: -1.528 local terms energy: -511.509158 where: bonds (distance) C4'-P energy: -133.345 bonds (distance) P-C4' energy: -123.383 flat angles C4'-P-C4' energy: -127.710 flat angles P-C4'-P energy: -86.656 tors. eta vs tors. theta energy: -40.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -3296.269497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.269497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.269497 (E_RNA) where: Base-Base interactions energy: -2297.265 where: short stacking energy: -1005.315 Base-Backbone interact. energy: -3.683 local terms energy: -995.321274 where: bonds (distance) C4'-P energy: -181.515 bonds (distance) P-C4' energy: -174.521 flat angles C4'-P-C4' energy: -207.607 flat angles P-C4'-P energy: -139.057 tors. eta vs tors. theta energy: -292.621 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: 2, replica: 7 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -3101.193999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.193999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.193999 (E_RNA) where: Base-Base interactions energy: -2133.465 where: short stacking energy: -943.567 Base-Backbone interact. energy: -3.647 local terms energy: -964.082163 where: bonds (distance) C4'-P energy: -180.767 bonds (distance) P-C4' energy: -176.534 flat angles C4'-P-C4' energy: -202.681 flat angles P-C4'-P energy: -125.199 tors. eta vs tors. theta energy: -278.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -2954.952040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.952040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.952040 (E_RNA) where: Base-Base interactions energy: -2066.506 where: short stacking energy: -916.241 Base-Backbone interact. energy: -3.584 local terms energy: -884.862287 where: bonds (distance) C4'-P energy: -154.756 bonds (distance) P-C4' energy: -159.651 flat angles C4'-P-C4' energy: -186.754 flat angles P-C4'-P energy: -108.618 tors. eta vs tors. theta energy: -275.083 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: 248 Temperature: 1.050000 Total energy: -2835.240359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.240359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.240359 (E_RNA) where: Base-Base interactions energy: -1954.565 where: short stacking energy: -848.292 Base-Backbone interact. energy: -4.888 local terms energy: -875.787684 where: bonds (distance) C4'-P energy: -172.137 bonds (distance) P-C4' energy: -168.361 flat angles C4'-P-C4' energy: -190.788 flat angles P-C4'-P energy: -100.913 tors. eta vs tors. theta energy: -243.589 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: 5, replica: 8 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -2668.271649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.271649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.271649 (E_RNA) where: Base-Base interactions energy: -1846.136 where: short stacking energy: -765.678 Base-Backbone interact. energy: -0.213 local terms energy: -821.921799 where: bonds (distance) C4'-P energy: -158.835 bonds (distance) P-C4' energy: -154.765 flat angles C4'-P-C4' energy: -184.435 flat angles P-C4'-P energy: -105.307 tors. eta vs tors. theta energy: -218.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -2425.219917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.219917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.219917 (E_RNA) where: Base-Base interactions energy: -1639.373 where: short stacking energy: -693.195 Base-Backbone interact. energy: -7.970 local terms energy: -777.876770 where: bonds (distance) C4'-P energy: -159.058 bonds (distance) P-C4' energy: -161.917 flat angles C4'-P-C4' energy: -182.291 flat angles P-C4'-P energy: -102.175 tors. eta vs tors. theta energy: -172.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -2342.907740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.907740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.907740 (E_RNA) where: Base-Base interactions energy: -1613.040 where: short stacking energy: -694.083 Base-Backbone interact. energy: 1.673 local terms energy: -731.540617 where: bonds (distance) C4'-P energy: -131.536 bonds (distance) P-C4' energy: -163.670 flat angles C4'-P-C4' energy: -168.685 flat angles P-C4'-P energy: -99.703 tors. eta vs tors. theta energy: -167.947 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: 8, replica: 9 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -2000.817930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.817930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.817930 (E_RNA) where: Base-Base interactions energy: -1352.047 where: short stacking energy: -593.381 Base-Backbone interact. energy: -3.184 local terms energy: -645.587823 where: bonds (distance) C4'-P energy: -122.809 bonds (distance) P-C4' energy: -147.141 flat angles C4'-P-C4' energy: -161.666 flat angles P-C4'-P energy: -85.819 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: 9, replica: 3 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -1865.052511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.052511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.052511 (E_RNA) where: Base-Base interactions energy: -1206.357 where: short stacking energy: -519.517 Base-Backbone interact. energy: -3.768 local terms energy: -654.926899 where: bonds (distance) C4'-P energy: -140.965 bonds (distance) P-C4' energy: -136.576 flat angles C4'-P-C4' energy: -171.349 flat angles P-C4'-P energy: -95.903 tors. eta vs tors. theta energy: -110.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -1374.460600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.460600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.460600 (E_RNA) where: Base-Base interactions energy: -838.696 where: short stacking energy: -389.738 Base-Backbone interact. energy: 1.184 local terms energy: -536.949192 where: bonds (distance) C4'-P energy: -131.954 bonds (distance) P-C4' energy: -133.217 flat angles C4'-P-C4' energy: -160.998 flat angles P-C4'-P energy: -73.707 tors. eta vs tors. theta energy: -37.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -3266.501829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3266.501829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3266.501829 (E_RNA) where: Base-Base interactions energy: -2279.431 where: short stacking energy: -987.765 Base-Backbone interact. energy: -3.025 local terms energy: -984.045823 where: bonds (distance) C4'-P energy: -162.252 bonds (distance) P-C4' energy: -181.261 flat angles C4'-P-C4' energy: -203.248 flat angles P-C4'-P energy: -148.674 tors. eta vs tors. theta energy: -288.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -3117.048666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.048666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.048666 (E_RNA) where: Base-Base interactions energy: -2135.564 where: short stacking energy: -941.401 Base-Backbone interact. energy: -1.732 local terms energy: -979.753226 where: bonds (distance) C4'-P energy: -172.098 bonds (distance) P-C4' energy: -196.829 flat angles C4'-P-C4' energy: -196.320 flat angles P-C4'-P energy: -127.633 tors. eta vs tors. theta energy: -286.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -2990.303290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.303290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.303290 (E_RNA) where: Base-Base interactions energy: -2062.743 where: short stacking energy: -894.343 Base-Backbone interact. energy: 2.492 local terms energy: -930.052743 where: bonds (distance) C4'-P energy: -160.015 bonds (distance) P-C4' energy: -177.289 flat angles C4'-P-C4' energy: -199.569 flat angles P-C4'-P energy: -135.847 tors. eta vs tors. theta energy: -257.334 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: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -2777.052441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.052441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.052441 (E_RNA) where: Base-Base interactions energy: -1920.029 where: short stacking energy: -813.561 Base-Backbone interact. energy: -0.374 local terms energy: -856.649201 where: bonds (distance) C4'-P energy: -148.900 bonds (distance) P-C4' energy: -174.331 flat angles C4'-P-C4' energy: -193.097 flat angles P-C4'-P energy: -109.253 tors. eta vs tors. theta energy: -231.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -2699.588017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.588017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.588017 (E_RNA) where: Base-Base interactions energy: -1863.631 where: short stacking energy: -820.968 Base-Backbone interact. energy: -1.892 local terms energy: -834.065965 where: bonds (distance) C4'-P energy: -156.837 bonds (distance) P-C4' energy: -151.860 flat angles C4'-P-C4' energy: -174.550 flat angles P-C4'-P energy: -119.266 tors. eta vs tors. theta energy: -231.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -2452.499405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.499405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.499405 (E_RNA) where: Base-Base interactions energy: -1698.242 where: short stacking energy: -730.495 Base-Backbone interact. energy: -0.180 local terms energy: -754.077584 where: bonds (distance) C4'-P energy: -136.630 bonds (distance) P-C4' energy: -159.320 flat angles C4'-P-C4' energy: -173.898 flat angles P-C4'-P energy: -102.104 tors. eta vs tors. theta energy: -182.126 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: 10 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -2342.800995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.800995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.800995 (E_RNA) where: Base-Base interactions energy: -1606.432 where: short stacking energy: -693.053 Base-Backbone interact. energy: -1.131 local terms energy: -735.237970 where: bonds (distance) C4'-P energy: -146.119 bonds (distance) P-C4' energy: -146.386 flat angles C4'-P-C4' energy: -167.328 flat angles P-C4'-P energy: -97.532 tors. eta vs tors. theta energy: -177.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -2013.929672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2013.929672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2013.929672 (E_RNA) where: Base-Base interactions energy: -1325.199 where: short stacking energy: -592.083 Base-Backbone interact. energy: 1.636 local terms energy: -690.367087 where: bonds (distance) C4'-P energy: -152.072 bonds (distance) P-C4' energy: -158.320 flat angles C4'-P-C4' energy: -147.535 flat angles P-C4'-P energy: -101.168 tors. eta vs tors. theta energy: -131.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -1832.504438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.504438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.504438 (E_RNA) where: Base-Base interactions energy: -1229.730 where: short stacking energy: -564.774 Base-Backbone interact. energy: -0.681 local terms energy: -602.093656 where: bonds (distance) C4'-P energy: -139.491 bonds (distance) P-C4' energy: -144.965 flat angles C4'-P-C4' energy: -145.216 flat angles P-C4'-P energy: -51.734 tors. eta vs tors. theta energy: -120.688 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: 5 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -1415.727399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.727399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.727399 (E_RNA) where: Base-Base interactions energy: -856.279 where: short stacking energy: -403.907 Base-Backbone interact. energy: 1.089 local terms energy: -560.537634 where: bonds (distance) C4'-P energy: -141.390 bonds (distance) P-C4' energy: -153.217 flat angles C4'-P-C4' energy: -145.058 flat angles P-C4'-P energy: -74.835 tors. eta vs tors. theta energy: -46.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -3257.745985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3257.745985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3257.745985 (E_RNA) where: Base-Base interactions energy: -2278.269 where: short stacking energy: -979.237 Base-Backbone interact. energy: -3.168 local terms energy: -976.308673 where: bonds (distance) C4'-P energy: -168.099 bonds (distance) P-C4' energy: -185.206 flat angles C4'-P-C4' energy: -203.766 flat angles P-C4'-P energy: -132.639 tors. eta vs tors. theta energy: -286.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -3131.163867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.163867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.163867 (E_RNA) where: Base-Base interactions energy: -2156.515 where: short stacking energy: -911.845 Base-Backbone interact. energy: -1.828 local terms energy: -972.820767 where: bonds (distance) C4'-P energy: -175.334 bonds (distance) P-C4' energy: -174.804 flat angles C4'-P-C4' energy: -205.470 flat angles P-C4'-P energy: -143.677 tors. eta vs tors. theta energy: -273.537 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: 3, replica: 1 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -2976.775010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2976.775010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2976.775010 (E_RNA) where: Base-Base interactions energy: -2049.351 where: short stacking energy: -890.516 Base-Backbone interact. energy: 0.667 local terms energy: -928.091844 where: bonds (distance) C4'-P energy: -169.103 bonds (distance) P-C4' energy: -177.721 flat angles C4'-P-C4' energy: -206.320 flat angles P-C4'-P energy: -118.876 tors. eta vs tors. theta energy: -256.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -2802.855817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.855817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.855817 (E_RNA) where: Base-Base interactions energy: -1936.580 where: short stacking energy: -821.009 Base-Backbone interact. energy: -3.025 local terms energy: -863.251582 where: bonds (distance) C4'-P energy: -165.759 bonds (distance) P-C4' energy: -159.389 flat angles C4'-P-C4' energy: -180.046 flat angles P-C4'-P energy: -120.415 tors. eta vs tors. theta energy: -237.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -2646.856136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.856136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.856136 (E_RNA) where: Base-Base interactions energy: -1821.964 where: short stacking energy: -753.977 Base-Backbone interact. energy: -1.799 local terms energy: -823.093113 where: bonds (distance) C4'-P energy: -155.710 bonds (distance) P-C4' energy: -167.931 flat angles C4'-P-C4' energy: -173.616 flat angles P-C4'-P energy: -123.951 tors. eta vs tors. theta energy: -201.885 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: 250 Temperature: 1.150000 Total energy: -2503.137088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.137088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.137088 (E_RNA) where: Base-Base interactions energy: -1730.333 where: short stacking energy: -727.387 Base-Backbone interact. energy: 4.338 local terms energy: -777.141817 where: bonds (distance) C4'-P energy: -164.087 bonds (distance) P-C4' energy: -143.834 flat angles C4'-P-C4' energy: -169.359 flat angles P-C4'-P energy: -102.012 tors. eta vs tors. theta energy: -197.850 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: 10 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -2134.246482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2134.246482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2134.246482 (E_RNA) where: Base-Base interactions energy: -1426.965 where: short stacking energy: -590.199 Base-Backbone interact. energy: -4.845 local terms energy: -702.436599 where: bonds (distance) C4'-P energy: -158.658 bonds (distance) P-C4' energy: -159.287 flat angles C4'-P-C4' energy: -164.393 flat angles P-C4'-P energy: -104.232 tors. eta vs tors. theta energy: -115.867 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: 8, replica: 9 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -2076.373764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2076.373764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2076.373764 (E_RNA) where: Base-Base interactions energy: -1391.134 where: short stacking energy: -613.569 Base-Backbone interact. energy: -1.660 local terms energy: -683.579490 where: bonds (distance) C4'-P energy: -168.520 bonds (distance) P-C4' energy: -149.119 flat angles C4'-P-C4' energy: -154.078 flat angles P-C4'-P energy: -85.984 tors. eta vs tors. theta energy: -125.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -1833.169911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.169911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.169911 (E_RNA) where: Base-Base interactions energy: -1211.052 where: short stacking energy: -539.153 Base-Backbone interact. energy: 2.501 local terms energy: -624.618937 where: bonds (distance) C4'-P energy: -136.903 bonds (distance) P-C4' energy: -151.448 flat angles C4'-P-C4' energy: -141.510 flat angles P-C4'-P energy: -85.983 tors. eta vs tors. theta energy: -108.776 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: 5 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -1352.224581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.224581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.224581 (E_RNA) where: Base-Base interactions energy: -822.160 where: short stacking energy: -382.717 Base-Backbone interact. energy: 6.193 local terms energy: -536.257663 where: bonds (distance) C4'-P energy: -154.955 bonds (distance) P-C4' energy: -128.917 flat angles C4'-P-C4' energy: -119.658 flat angles P-C4'-P energy: -96.355 tors. eta vs tors. theta energy: -36.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -3243.384408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3243.384408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3243.384408 (E_RNA) where: Base-Base interactions energy: -2230.210 where: short stacking energy: -944.258 Base-Backbone interact. energy: -1.316 local terms energy: -1011.859047 where: bonds (distance) C4'-P energy: -187.183 bonds (distance) P-C4' energy: -192.592 flat angles C4'-P-C4' energy: -212.554 flat angles P-C4'-P energy: -147.723 tors. eta vs tors. theta energy: -271.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -3128.618426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.618426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.618426 (E_RNA) where: Base-Base interactions energy: -2157.043 where: short stacking energy: -936.428 Base-Backbone interact. energy: -3.553 local terms energy: -968.021720 where: bonds (distance) C4'-P energy: -175.029 bonds (distance) P-C4' energy: -184.296 flat angles C4'-P-C4' energy: -207.093 flat angles P-C4'-P energy: -125.390 tors. eta vs tors. theta energy: -276.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -2969.523427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.523427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.523427 (E_RNA) where: Base-Base interactions energy: -2040.698 where: short stacking energy: -881.319 Base-Backbone interact. energy: 0.581 local terms energy: -929.406144 where: bonds (distance) C4'-P energy: -174.527 bonds (distance) P-C4' energy: -170.096 flat angles C4'-P-C4' energy: -189.532 flat angles P-C4'-P energy: -134.014 tors. eta vs tors. theta energy: -261.237 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: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -2838.421967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.421967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.421967 (E_RNA) where: Base-Base interactions energy: -1946.766 where: short stacking energy: -835.953 Base-Backbone interact. energy: -2.692 local terms energy: -888.963627 where: bonds (distance) C4'-P energy: -164.138 bonds (distance) P-C4' energy: -170.775 flat angles C4'-P-C4' energy: -197.550 flat angles P-C4'-P energy: -111.444 tors. eta vs tors. theta energy: -245.057 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: 251 Temperature: 1.100000 Total energy: -2693.640841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.640841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.640841 (E_RNA) where: Base-Base interactions energy: -1842.911 where: short stacking energy: -791.910 Base-Backbone interact. energy: -5.767 local terms energy: -844.962825 where: bonds (distance) C4'-P energy: -146.906 bonds (distance) P-C4' energy: -169.768 flat angles C4'-P-C4' energy: -179.073 flat angles P-C4'-P energy: -131.244 tors. eta vs tors. theta energy: -217.970 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: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -2483.813397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2483.813397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2483.813397 (E_RNA) where: Base-Base interactions energy: -1676.241 where: short stacking energy: -737.327 Base-Backbone interact. energy: -0.451 local terms energy: -807.122090 where: bonds (distance) C4'-P energy: -141.768 bonds (distance) P-C4' energy: -163.086 flat angles C4'-P-C4' energy: -176.776 flat angles P-C4'-P energy: -133.816 tors. eta vs tors. theta energy: -191.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -2133.788620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.788620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.788620 (E_RNA) where: Base-Base interactions energy: -1406.997 where: short stacking energy: -616.573 Base-Backbone interact. energy: -1.909 local terms energy: -724.883344 where: bonds (distance) C4'-P energy: -157.539 bonds (distance) P-C4' energy: -153.005 flat angles C4'-P-C4' energy: -167.284 flat angles P-C4'-P energy: -107.019 tors. eta vs tors. theta energy: -140.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1994.509486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1994.509486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1994.509486 (E_RNA) where: Base-Base interactions energy: -1335.397 where: short stacking energy: -585.627 Base-Backbone interact. energy: -1.798 local terms energy: -657.313852 where: bonds (distance) C4'-P energy: -142.073 bonds (distance) P-C4' energy: -142.984 flat angles C4'-P-C4' energy: -157.824 flat angles P-C4'-P energy: -85.961 tors. eta vs tors. theta energy: -128.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -1852.601646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.601646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.601646 (E_RNA) where: Base-Base interactions energy: -1235.744 where: short stacking energy: -565.923 Base-Backbone interact. energy: -1.065 local terms energy: -615.792631 where: bonds (distance) C4'-P energy: -144.285 bonds (distance) P-C4' energy: -139.130 flat angles C4'-P-C4' energy: -137.230 flat angles P-C4'-P energy: -79.745 tors. eta vs tors. theta energy: -115.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -1281.703734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.703734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.703734 (E_RNA) where: Base-Base interactions energy: -781.640 where: short stacking energy: -356.084 Base-Backbone interact. energy: 2.019 local terms energy: -502.082729 where: bonds (distance) C4'-P energy: -130.311 bonds (distance) P-C4' energy: -152.277 flat angles C4'-P-C4' energy: -143.107 flat angles P-C4'-P energy: -67.680 tors. eta vs tors. theta energy: -8.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -3260.434596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3260.434596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3260.434596 (E_RNA) where: Base-Base interactions energy: -2288.718 where: short stacking energy: -975.786 Base-Backbone interact. energy: -1.373 local terms energy: -970.343415 where: bonds (distance) C4'-P energy: -159.883 bonds (distance) P-C4' energy: -181.544 flat angles C4'-P-C4' energy: -200.555 flat angles P-C4'-P energy: -146.601 tors. eta vs tors. theta energy: -281.760 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: 7 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -3094.334230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.334230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.334230 (E_RNA) where: Base-Base interactions energy: -2163.318 where: short stacking energy: -919.456 Base-Backbone interact. energy: -1.514 local terms energy: -929.502893 where: bonds (distance) C4'-P energy: -173.128 bonds (distance) P-C4' energy: -167.160 flat angles C4'-P-C4' energy: -193.645 flat angles P-C4'-P energy: -117.728 tors. eta vs tors. theta energy: -277.842 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: 3, replica: 1 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -2995.511883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.511883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.511883 (E_RNA) where: Base-Base interactions energy: -2067.500 where: short stacking energy: -901.126 Base-Backbone interact. energy: -3.363 local terms energy: -924.648819 where: bonds (distance) C4'-P energy: -175.320 bonds (distance) P-C4' energy: -166.905 flat angles C4'-P-C4' energy: -190.605 flat angles P-C4'-P energy: -128.314 tors. eta vs tors. theta energy: -263.505 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: 252 Temperature: 1.050000 Total energy: -2792.440062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.440062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.440062 (E_RNA) where: Base-Base interactions energy: -1915.358 where: short stacking energy: -816.040 Base-Backbone interact. energy: -2.462 local terms energy: -874.620365 where: bonds (distance) C4'-P energy: -162.713 bonds (distance) P-C4' energy: -149.895 flat angles C4'-P-C4' energy: -198.172 flat angles P-C4'-P energy: -120.835 tors. eta vs tors. theta energy: -243.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -2711.587206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2711.587206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2711.587206 (E_RNA) where: Base-Base interactions energy: -1883.026 where: short stacking energy: -781.719 Base-Backbone interact. energy: 1.868 local terms energy: -830.429088 where: bonds (distance) C4'-P energy: -170.010 bonds (distance) P-C4' energy: -153.866 flat angles C4'-P-C4' energy: -190.486 flat angles P-C4'-P energy: -101.955 tors. eta vs tors. theta energy: -214.112 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: 252 Temperature: 1.150000 Total energy: -2482.956225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2482.956225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2482.956225 (E_RNA) where: Base-Base interactions energy: -1690.604 where: short stacking energy: -754.419 Base-Backbone interact. energy: -3.307 local terms energy: -789.044691 where: bonds (distance) C4'-P energy: -151.494 bonds (distance) P-C4' energy: -141.338 flat angles C4'-P-C4' energy: -180.217 flat angles P-C4'-P energy: -112.819 tors. eta vs tors. theta energy: -203.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -2227.601459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2227.601459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2227.601459 (E_RNA) where: Base-Base interactions energy: -1479.823 where: short stacking energy: -650.418 Base-Backbone interact. energy: -6.048 local terms energy: -741.730528 where: bonds (distance) C4'-P energy: -138.176 bonds (distance) P-C4' energy: -162.785 flat angles C4'-P-C4' energy: -182.013 flat angles P-C4'-P energy: -100.791 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: 9 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1927.927219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.927219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.927219 (E_RNA) where: Base-Base interactions energy: -1265.355 where: short stacking energy: -576.059 Base-Backbone interact. energy: -3.465 local terms energy: -659.108108 where: bonds (distance) C4'-P energy: -142.647 bonds (distance) P-C4' energy: -144.201 flat angles C4'-P-C4' energy: -151.953 flat angles P-C4'-P energy: -100.169 tors. eta vs tors. theta energy: -120.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -1842.163757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.163757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.163757 (E_RNA) where: Base-Base interactions energy: -1212.572 where: short stacking energy: -535.262 Base-Backbone interact. energy: -1.493 local terms energy: -628.098747 where: bonds (distance) C4'-P energy: -125.858 bonds (distance) P-C4' energy: -151.619 flat angles C4'-P-C4' energy: -166.455 flat angles P-C4'-P energy: -78.933 tors. eta vs tors. theta energy: -105.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -1314.042505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.042505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.042505 (E_RNA) where: Base-Base interactions energy: -765.037 where: short stacking energy: -379.246 Base-Backbone interact. energy: -2.303 local terms energy: -546.703081 where: bonds (distance) C4'-P energy: -123.016 bonds (distance) P-C4' energy: -161.355 flat angles C4'-P-C4' energy: -143.606 flat angles P-C4'-P energy: -77.369 tors. eta vs tors. theta energy: -41.356 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: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -3273.118912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.118912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.118912 (E_RNA) where: Base-Base interactions energy: -2266.522 where: short stacking energy: -977.883 Base-Backbone interact. energy: 0.441 local terms energy: -1007.038183 where: bonds (distance) C4'-P energy: -185.733 bonds (distance) P-C4' energy: -187.659 flat angles C4'-P-C4' energy: -207.372 flat angles P-C4'-P energy: -139.996 tors. eta vs tors. theta energy: -286.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -3132.625677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.625677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.625677 (E_RNA) where: Base-Base interactions energy: -2162.924 where: short stacking energy: -910.977 Base-Backbone interact. energy: 7.114 local terms energy: -976.815497 where: bonds (distance) C4'-P energy: -172.268 bonds (distance) P-C4' energy: -176.374 flat angles C4'-P-C4' energy: -208.094 flat angles P-C4'-P energy: -146.015 tors. eta vs tors. theta energy: -274.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -3026.035890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3026.035890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3026.035890 (E_RNA) where: Base-Base interactions energy: -2094.948 where: short stacking energy: -928.668 Base-Backbone interact. energy: -2.792 local terms energy: -928.296738 where: bonds (distance) C4'-P energy: -146.612 bonds (distance) P-C4' energy: -165.628 flat angles C4'-P-C4' energy: -208.057 flat angles P-C4'-P energy: -143.992 tors. eta vs tors. theta energy: -264.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -2826.194508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.194508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.194508 (E_RNA) where: Base-Base interactions energy: -1940.502 where: short stacking energy: -848.599 Base-Backbone interact. energy: 0.709 local terms energy: -886.402256 where: bonds (distance) C4'-P energy: -154.692 bonds (distance) P-C4' energy: -161.446 flat angles C4'-P-C4' energy: -181.650 flat angles P-C4'-P energy: -133.799 tors. eta vs tors. theta energy: -254.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -2766.696588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.696588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.696588 (E_RNA) where: Base-Base interactions energy: -1903.943 where: short stacking energy: -801.230 Base-Backbone interact. energy: -2.986 local terms energy: -859.767793 where: bonds (distance) C4'-P energy: -164.361 bonds (distance) P-C4' energy: -164.126 flat angles C4'-P-C4' energy: -185.305 flat angles P-C4'-P energy: -131.624 tors. eta vs tors. theta energy: -214.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -2494.686028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.686028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.686028 (E_RNA) where: Base-Base interactions energy: -1684.651 where: short stacking energy: -730.969 Base-Backbone interact. energy: -3.757 local terms energy: -806.278077 where: bonds (distance) C4'-P energy: -159.852 bonds (distance) P-C4' energy: -148.697 flat angles C4'-P-C4' energy: -180.203 flat angles P-C4'-P energy: -124.244 tors. eta vs tors. theta energy: -193.283 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: 10 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -2245.586603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2245.586603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2245.586603 (E_RNA) where: Base-Base interactions energy: -1512.254 where: short stacking energy: -656.447 Base-Backbone interact. energy: -4.120 local terms energy: -729.211923 where: bonds (distance) C4'-P energy: -131.468 bonds (distance) P-C4' energy: -149.469 flat angles C4'-P-C4' energy: -168.190 flat angles P-C4'-P energy: -118.712 tors. eta vs tors. theta energy: -161.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1895.882774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.882774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.882774 (E_RNA) where: Base-Base interactions energy: -1262.154 where: short stacking energy: -548.525 Base-Backbone interact. energy: -3.324 local terms energy: -630.404749 where: bonds (distance) C4'-P energy: -140.513 bonds (distance) P-C4' energy: -149.298 flat angles C4'-P-C4' energy: -131.695 flat angles P-C4'-P energy: -97.822 tors. eta vs tors. theta energy: -111.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -1843.711252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.711252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.711252 (E_RNA) where: Base-Base interactions energy: -1194.696 where: short stacking energy: -550.165 Base-Backbone interact. energy: 2.249 local terms energy: -651.264160 where: bonds (distance) C4'-P energy: -138.229 bonds (distance) P-C4' energy: -147.165 flat angles C4'-P-C4' energy: -153.798 flat angles P-C4'-P energy: -96.581 tors. eta vs tors. theta energy: -115.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -1258.420674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.420674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.420674 (E_RNA) where: Base-Base interactions energy: -785.672 where: short stacking energy: -382.002 Base-Backbone interact. energy: 5.628 local terms energy: -478.377160 where: bonds (distance) C4'-P energy: -136.022 bonds (distance) P-C4' energy: -148.781 flat angles C4'-P-C4' energy: -122.878 flat angles P-C4'-P energy: -59.640 tors. eta vs tors. theta energy: -11.056 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: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -3267.557508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3267.557508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3267.557508 (E_RNA) where: Base-Base interactions energy: -2273.633 where: short stacking energy: -992.745 Base-Backbone interact. energy: -1.790 local terms energy: -992.133756 where: bonds (distance) C4'-P energy: -173.873 bonds (distance) P-C4' energy: -170.797 flat angles C4'-P-C4' energy: -208.058 flat angles P-C4'-P energy: -152.773 tors. eta vs tors. theta energy: -286.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -3116.654260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.654260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.654260 (E_RNA) where: Base-Base interactions energy: -2176.682 where: short stacking energy: -928.848 Base-Backbone interact. energy: -1.493 local terms energy: -938.479918 where: bonds (distance) C4'-P energy: -180.954 bonds (distance) P-C4' energy: -173.984 flat angles C4'-P-C4' energy: -185.174 flat angles P-C4'-P energy: -130.233 tors. eta vs tors. theta energy: -268.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -2947.426748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2947.426748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2947.426748 (E_RNA) where: Base-Base interactions energy: -2036.192 where: short stacking energy: -876.842 Base-Backbone interact. energy: -0.717 local terms energy: -910.518499 where: bonds (distance) C4'-P energy: -157.880 bonds (distance) P-C4' energy: -162.895 flat angles C4'-P-C4' energy: -199.573 flat angles P-C4'-P energy: -128.064 tors. eta vs tors. theta energy: -262.107 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: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -2828.882504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2828.882504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2828.882504 (E_RNA) where: Base-Base interactions energy: -1934.673 where: short stacking energy: -851.039 Base-Backbone interact. energy: -0.876 local terms energy: -893.333995 where: bonds (distance) C4'-P energy: -146.984 bonds (distance) P-C4' energy: -165.180 flat angles C4'-P-C4' energy: -187.522 flat angles P-C4'-P energy: -135.887 tors. eta vs tors. theta energy: -257.761 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: -2704.984628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2704.984628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2704.984628 (E_RNA) where: Base-Base interactions energy: -1855.428 where: short stacking energy: -785.906 Base-Backbone interact. energy: -2.756 local terms energy: -846.800842 where: bonds (distance) C4'-P energy: -177.048 bonds (distance) P-C4' energy: -156.898 flat angles C4'-P-C4' energy: -185.704 flat angles P-C4'-P energy: -115.910 tors. eta vs tors. theta energy: -211.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -2514.851328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2514.851328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2514.851328 (E_RNA) where: Base-Base interactions energy: -1725.137 where: short stacking energy: -773.546 Base-Backbone interact. energy: 0.523 local terms energy: -790.237436 where: bonds (distance) C4'-P energy: -140.502 bonds (distance) P-C4' energy: -152.365 flat angles C4'-P-C4' energy: -166.551 flat angles P-C4'-P energy: -118.122 tors. eta vs tors. theta energy: -212.698 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: 10 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -2184.106438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2184.106438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2184.106438 (E_RNA) where: Base-Base interactions energy: -1464.485 where: short stacking energy: -608.307 Base-Backbone interact. energy: -1.236 local terms energy: -718.385506 where: bonds (distance) C4'-P energy: -154.018 bonds (distance) P-C4' energy: -145.809 flat angles C4'-P-C4' energy: -144.905 flat angles P-C4'-P energy: -118.216 tors. eta vs tors. theta energy: -155.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1863.391210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.391210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.391210 (E_RNA) where: Base-Base interactions energy: -1256.500 where: short stacking energy: -528.626 Base-Backbone interact. energy: 3.225 local terms energy: -610.116450 where: bonds (distance) C4'-P energy: -136.261 bonds (distance) P-C4' energy: -166.963 flat angles C4'-P-C4' energy: -123.381 flat angles P-C4'-P energy: -80.749 tors. eta vs tors. theta energy: -102.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -1855.570718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.570718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.570718 (E_RNA) where: Base-Base interactions energy: -1213.826 where: short stacking energy: -534.865 Base-Backbone interact. energy: -6.391 local terms energy: -635.353132 where: bonds (distance) C4'-P energy: -132.919 bonds (distance) P-C4' energy: -149.582 flat angles C4'-P-C4' energy: -139.125 flat angles P-C4'-P energy: -91.602 tors. eta vs tors. theta energy: -122.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -1312.552524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.552524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.552524 (E_RNA) where: Base-Base interactions energy: -774.101 where: short stacking energy: -348.269 Base-Backbone interact. energy: -0.004 local terms energy: -538.448162 where: bonds (distance) C4'-P energy: -144.154 bonds (distance) P-C4' energy: -143.674 flat angles C4'-P-C4' energy: -117.608 flat angles P-C4'-P energy: -93.780 tors. eta vs tors. theta energy: -39.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -3291.644862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3291.644862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3291.644862 (E_RNA) where: Base-Base interactions energy: -2267.755 where: short stacking energy: -975.379 Base-Backbone interact. energy: -2.889 local terms energy: -1021.001668 where: bonds (distance) C4'-P energy: -174.827 bonds (distance) P-C4' energy: -189.141 flat angles C4'-P-C4' energy: -224.266 flat angles P-C4'-P energy: -153.317 tors. eta vs tors. theta energy: -279.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -3120.527990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.527990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.527990 (E_RNA) where: Base-Base interactions energy: -2188.712 where: short stacking energy: -951.213 Base-Backbone interact. energy: -5.253 local terms energy: -926.563040 where: bonds (distance) C4'-P energy: -155.656 bonds (distance) P-C4' energy: -164.331 flat angles C4'-P-C4' energy: -202.149 flat angles P-C4'-P energy: -131.442 tors. eta vs tors. theta energy: -272.986 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: 3, replica: 1 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -2977.049199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.049199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.049199 (E_RNA) where: Base-Base interactions energy: -2064.417 where: short stacking energy: -908.621 Base-Backbone interact. energy: -2.765 local terms energy: -909.867600 where: bonds (distance) C4'-P energy: -170.231 bonds (distance) P-C4' energy: -170.415 flat angles C4'-P-C4' energy: -184.452 flat angles P-C4'-P energy: -122.275 tors. eta vs tors. theta energy: -262.494 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: 255 Temperature: 1.050000 Total energy: -2750.890514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2750.890514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2750.890514 (E_RNA) where: Base-Base interactions energy: -1894.213 where: short stacking energy: -802.426 Base-Backbone interact. energy: -2.527 local terms energy: -854.150258 where: bonds (distance) C4'-P energy: -148.763 bonds (distance) P-C4' energy: -159.231 flat angles C4'-P-C4' energy: -183.262 flat angles P-C4'-P energy: -123.478 tors. eta vs tors. theta energy: -239.416 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: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -2736.161936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2736.161936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2736.161936 (E_RNA) where: Base-Base interactions energy: -1889.535 where: short stacking energy: -799.710 Base-Backbone interact. energy: -0.852 local terms energy: -845.775040 where: bonds (distance) C4'-P energy: -159.602 bonds (distance) P-C4' energy: -169.113 flat angles C4'-P-C4' energy: -185.376 flat angles P-C4'-P energy: -123.346 tors. eta vs tors. theta energy: -208.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -2546.513758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.513758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.513758 (E_RNA) where: Base-Base interactions energy: -1708.418 where: short stacking energy: -741.662 Base-Backbone interact. energy: -1.360 local terms energy: -836.735954 where: bonds (distance) C4'-P energy: -156.734 bonds (distance) P-C4' energy: -157.061 flat angles C4'-P-C4' energy: -188.736 flat angles P-C4'-P energy: -107.720 tors. eta vs tors. theta energy: -226.484 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: 10 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -2238.458729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.458729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.458729 (E_RNA) where: Base-Base interactions energy: -1535.705 where: short stacking energy: -679.719 Base-Backbone interact. energy: -2.162 local terms energy: -700.592437 where: bonds (distance) C4'-P energy: -150.933 bonds (distance) P-C4' energy: -159.714 flat angles C4'-P-C4' energy: -149.253 flat angles P-C4'-P energy: -84.154 tors. eta vs tors. theta energy: -156.538 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: 9 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1954.197181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.197181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.197181 (E_RNA) where: Base-Base interactions energy: -1293.252 where: short stacking energy: -538.920 Base-Backbone interact. energy: -1.389 local terms energy: -659.556594 where: bonds (distance) C4'-P energy: -137.968 bonds (distance) P-C4' energy: -156.812 flat angles C4'-P-C4' energy: -147.461 flat angles P-C4'-P energy: -101.700 tors. eta vs tors. theta energy: -115.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -1883.342796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.342796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.342796 (E_RNA) where: Base-Base interactions energy: -1239.004 where: short stacking energy: -548.938 Base-Backbone interact. energy: 5.484 local terms energy: -649.823611 where: bonds (distance) C4'-P energy: -136.304 bonds (distance) P-C4' energy: -148.953 flat angles C4'-P-C4' energy: -144.061 flat angles P-C4'-P energy: -99.604 tors. eta vs tors. theta energy: -120.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -1369.205800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.205800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.205800 (E_RNA) where: Base-Base interactions energy: -826.316 where: short stacking energy: -379.665 Base-Backbone interact. energy: 3.635 local terms energy: -546.525362 where: bonds (distance) C4'-P energy: -129.714 bonds (distance) P-C4' energy: -152.437 flat angles C4'-P-C4' energy: -125.830 flat angles P-C4'-P energy: -79.405 tors. eta vs tors. theta energy: -59.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -3250.424237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.424237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.424237 (E_RNA) where: Base-Base interactions energy: -2260.033 where: short stacking energy: -950.584 Base-Backbone interact. energy: -2.892 local terms energy: -987.499497 where: bonds (distance) C4'-P energy: -186.993 bonds (distance) P-C4' energy: -173.870 flat angles C4'-P-C4' energy: -221.536 flat angles P-C4'-P energy: -131.090 tors. eta vs tors. theta energy: -274.011 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: 7 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -3121.304518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3121.304518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3121.304518 (E_RNA) where: Base-Base interactions energy: -2166.722 where: short stacking energy: -947.908 Base-Backbone interact. energy: -2.336 local terms energy: -952.246190 where: bonds (distance) C4'-P energy: -172.445 bonds (distance) P-C4' energy: -172.005 flat angles C4'-P-C4' energy: -202.765 flat angles P-C4'-P energy: -137.863 tors. eta vs tors. theta energy: -267.169 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: 256 Temperature: 1.000000 Total energy: -2984.410783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2984.410783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2984.410783 (E_RNA) where: Base-Base interactions energy: -2061.398 where: short stacking energy: -888.177 Base-Backbone interact. energy: -0.362 local terms energy: -922.651539 where: bonds (distance) C4'-P energy: -145.752 bonds (distance) P-C4' energy: -191.337 flat angles C4'-P-C4' energy: -202.200 flat angles P-C4'-P energy: -126.670 tors. eta vs tors. theta energy: -256.692 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: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -2747.382916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2747.382916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2747.382916 (E_RNA) where: Base-Base interactions energy: -1865.192 where: short stacking energy: -809.150 Base-Backbone interact. energy: -6.026 local terms energy: -876.165331 where: bonds (distance) C4'-P energy: -163.681 bonds (distance) P-C4' energy: -170.166 flat angles C4'-P-C4' energy: -185.355 flat angles P-C4'-P energy: -116.732 tors. eta vs tors. theta energy: -240.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -2660.478568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.478568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.478568 (E_RNA) where: Base-Base interactions energy: -1818.633 where: short stacking energy: -763.555 Base-Backbone interact. energy: -4.557 local terms energy: -837.288142 where: bonds (distance) C4'-P energy: -156.921 bonds (distance) P-C4' energy: -157.038 flat angles C4'-P-C4' energy: -188.801 flat angles P-C4'-P energy: -128.513 tors. eta vs tors. theta energy: -206.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -2503.649829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.649829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.649829 (E_RNA) where: Base-Base interactions energy: -1688.279 where: short stacking energy: -724.920 Base-Backbone interact. energy: 1.424 local terms energy: -816.795075 where: bonds (distance) C4'-P energy: -162.622 bonds (distance) P-C4' energy: -155.229 flat angles C4'-P-C4' energy: -177.521 flat angles P-C4'-P energy: -109.651 tors. eta vs tors. theta energy: -211.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -2173.904098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.904098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.904098 (E_RNA) where: Base-Base interactions energy: -1439.095 where: short stacking energy: -583.992 Base-Backbone interact. energy: -2.875 local terms energy: -731.933514 where: bonds (distance) C4'-P energy: -150.430 bonds (distance) P-C4' energy: -172.738 flat angles C4'-P-C4' energy: -157.726 flat angles P-C4'-P energy: -108.709 tors. eta vs tors. theta energy: -142.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1924.019880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.019880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.019880 (E_RNA) where: Base-Base interactions energy: -1286.532 where: short stacking energy: -536.142 Base-Backbone interact. energy: -2.418 local terms energy: -635.069746 where: bonds (distance) C4'-P energy: -138.731 bonds (distance) P-C4' energy: -138.463 flat angles C4'-P-C4' energy: -155.629 flat angles P-C4'-P energy: -87.363 tors. eta vs tors. theta energy: -114.885 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: 3 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -1826.638704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.638704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.638704 (E_RNA) where: Base-Base interactions energy: -1183.429 where: short stacking energy: -514.577 Base-Backbone interact. energy: 5.470 local terms energy: -648.679946 where: bonds (distance) C4'-P energy: -141.664 bonds (distance) P-C4' energy: -151.717 flat angles C4'-P-C4' energy: -162.182 flat angles P-C4'-P energy: -91.967 tors. eta vs tors. theta energy: -101.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -1370.716233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.716233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.716233 (E_RNA) where: Base-Base interactions energy: -811.462 where: short stacking energy: -386.174 Base-Backbone interact. energy: 2.280 local terms energy: -561.533648 where: bonds (distance) C4'-P energy: -146.024 bonds (distance) P-C4' energy: -140.199 flat angles C4'-P-C4' energy: -135.206 flat angles P-C4'-P energy: -92.939 tors. eta vs tors. theta energy: -47.166 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: 2 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -3289.314172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3289.314172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3289.314172 (E_RNA) where: Base-Base interactions energy: -2299.626 where: short stacking energy: -981.042 Base-Backbone interact. energy: -2.856 local terms energy: -986.832000 where: bonds (distance) C4'-P energy: -160.139 bonds (distance) P-C4' energy: -200.129 flat angles C4'-P-C4' energy: -208.305 flat angles P-C4'-P energy: -143.141 tors. eta vs tors. theta energy: -275.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -3122.877835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.877835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.877835 (E_RNA) where: Base-Base interactions energy: -2154.904 where: short stacking energy: -940.777 Base-Backbone interact. energy: -2.937 local terms energy: -965.037308 where: bonds (distance) C4'-P energy: -170.409 bonds (distance) P-C4' energy: -172.270 flat angles C4'-P-C4' energy: -200.489 flat angles P-C4'-P energy: -140.726 tors. eta vs tors. theta energy: -281.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -2993.216826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.216826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.216826 (E_RNA) where: Base-Base interactions energy: -2084.357 where: short stacking energy: -894.507 Base-Backbone interact. energy: -0.795 local terms energy: -908.064567 where: bonds (distance) C4'-P energy: -150.145 bonds (distance) P-C4' energy: -172.446 flat angles C4'-P-C4' energy: -189.800 flat angles P-C4'-P energy: -130.551 tors. eta vs tors. theta energy: -265.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -2789.223782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.223782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.223782 (E_RNA) where: Base-Base interactions energy: -1896.888 where: short stacking energy: -826.325 Base-Backbone interact. energy: -3.784 local terms energy: -888.551901 where: bonds (distance) C4'-P energy: -170.003 bonds (distance) P-C4' energy: -158.705 flat angles C4'-P-C4' energy: -189.906 flat angles P-C4'-P energy: -120.064 tors. eta vs tors. theta energy: -249.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -2678.833990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.833990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.833990 (E_RNA) where: Base-Base interactions energy: -1873.796 where: short stacking energy: -798.503 Base-Backbone interact. energy: -1.692 local terms energy: -803.345843 where: bonds (distance) C4'-P energy: -140.525 bonds (distance) P-C4' energy: -157.031 flat angles C4'-P-C4' energy: -172.111 flat angles P-C4'-P energy: -115.140 tors. eta vs tors. theta energy: -218.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -2457.769332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.769332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.769332 (E_RNA) where: Base-Base interactions energy: -1656.466 where: short stacking energy: -742.601 Base-Backbone interact. energy: -3.738 local terms energy: -797.565214 where: bonds (distance) C4'-P energy: -151.917 bonds (distance) P-C4' energy: -153.134 flat angles C4'-P-C4' energy: -176.314 flat angles P-C4'-P energy: -98.523 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: 7, replica: 10 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -2196.574102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2196.574102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2196.574102 (E_RNA) where: Base-Base interactions energy: -1484.504 where: short stacking energy: -638.928 Base-Backbone interact. energy: 1.349 local terms energy: -713.419162 where: bonds (distance) C4'-P energy: -154.666 bonds (distance) P-C4' energy: -156.805 flat angles C4'-P-C4' energy: -169.080 flat angles P-C4'-P energy: -87.413 tors. eta vs tors. theta energy: -145.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -2053.035592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.035592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.035592 (E_RNA) where: Base-Base interactions energy: -1375.357 where: short stacking energy: -612.640 Base-Backbone interact. energy: -2.524 local terms energy: -675.154524 where: bonds (distance) C4'-P energy: -136.078 bonds (distance) P-C4' energy: -136.336 flat angles C4'-P-C4' energy: -158.839 flat angles P-C4'-P energy: -110.543 tors. eta vs tors. theta energy: -133.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -1815.443966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.443966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.443966 (E_RNA) where: Base-Base interactions energy: -1205.622 where: short stacking energy: -569.978 Base-Backbone interact. energy: -2.910 local terms energy: -606.911749 where: bonds (distance) C4'-P energy: -138.286 bonds (distance) P-C4' energy: -131.876 flat angles C4'-P-C4' energy: -147.150 flat angles P-C4'-P energy: -60.459 tors. eta vs tors. theta energy: -129.141 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: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -1347.288500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.288500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.288500 (E_RNA) where: Base-Base interactions energy: -808.449 where: short stacking energy: -377.353 Base-Backbone interact. energy: 0.509 local terms energy: -539.349321 where: bonds (distance) C4'-P energy: -145.950 bonds (distance) P-C4' energy: -136.909 flat angles C4'-P-C4' energy: -154.974 flat angles P-C4'-P energy: -62.150 tors. eta vs tors. theta energy: -39.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -3251.269629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3251.269629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3251.269629 (E_RNA) where: Base-Base interactions energy: -2283.979 where: short stacking energy: -958.763 Base-Backbone interact. energy: -1.444 local terms energy: -965.846266 where: bonds (distance) C4'-P energy: -154.660 bonds (distance) P-C4' energy: -193.303 flat angles C4'-P-C4' energy: -198.553 flat angles P-C4'-P energy: -140.833 tors. eta vs tors. theta energy: -278.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -3117.853721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.853721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.853721 (E_RNA) where: Base-Base interactions energy: -2154.593 where: short stacking energy: -919.938 Base-Backbone interact. energy: -1.762 local terms energy: -961.498798 where: bonds (distance) C4'-P energy: -170.774 bonds (distance) P-C4' energy: -188.077 flat angles C4'-P-C4' energy: -201.772 flat angles P-C4'-P energy: -139.464 tors. eta vs tors. theta energy: -261.411 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: 1 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -2994.989810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.989810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.989810 (E_RNA) where: Base-Base interactions energy: -2079.283 where: short stacking energy: -919.277 Base-Backbone interact. energy: -3.242 local terms energy: -912.464083 where: bonds (distance) C4'-P energy: -187.699 bonds (distance) P-C4' energy: -158.896 flat angles C4'-P-C4' energy: -176.423 flat angles P-C4'-P energy: -118.611 tors. eta vs tors. theta energy: -270.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -2787.950838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.950838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.950838 (E_RNA) where: Base-Base interactions energy: -1909.381 where: short stacking energy: -838.958 Base-Backbone interact. energy: -3.475 local terms energy: -875.094242 where: bonds (distance) C4'-P energy: -151.121 bonds (distance) P-C4' energy: -160.531 flat angles C4'-P-C4' energy: -186.087 flat angles P-C4'-P energy: -131.188 tors. eta vs tors. theta energy: -246.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -2645.217993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.217993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.217993 (E_RNA) where: Base-Base interactions energy: -1840.817 where: short stacking energy: -753.474 Base-Backbone interact. energy: -1.228 local terms energy: -803.172888 where: bonds (distance) C4'-P energy: -147.201 bonds (distance) P-C4' energy: -176.886 flat angles C4'-P-C4' energy: -169.125 flat angles P-C4'-P energy: -117.959 tors. eta vs tors. theta energy: -192.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -2449.212505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.212505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.212505 (E_RNA) where: Base-Base interactions energy: -1683.213 where: short stacking energy: -751.211 Base-Backbone interact. energy: -3.357 local terms energy: -762.642498 where: bonds (distance) C4'-P energy: -158.418 bonds (distance) P-C4' energy: -137.008 flat angles C4'-P-C4' energy: -168.308 flat angles P-C4'-P energy: -110.670 tors. eta vs tors. theta energy: -188.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -2246.912863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2246.912863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2246.912863 (E_RNA) where: Base-Base interactions energy: -1507.491 where: short stacking energy: -665.078 Base-Backbone interact. energy: -5.839 local terms energy: -733.582996 where: bonds (distance) C4'-P energy: -164.759 bonds (distance) P-C4' energy: -163.224 flat angles C4'-P-C4' energy: -146.435 flat angles P-C4'-P energy: -107.359 tors. eta vs tors. theta energy: -151.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1993.467057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.467057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.467057 (E_RNA) where: Base-Base interactions energy: -1297.353 where: short stacking energy: -552.032 Base-Backbone interact. energy: 2.717 local terms energy: -698.831231 where: bonds (distance) C4'-P energy: -154.256 bonds (distance) P-C4' energy: -144.057 flat angles C4'-P-C4' energy: -165.268 flat angles P-C4'-P energy: -112.440 tors. eta vs tors. theta energy: -122.810 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: 3 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -1826.344055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.344055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.344055 (E_RNA) where: Base-Base interactions energy: -1194.044 where: short stacking energy: -533.622 Base-Backbone interact. energy: 3.103 local terms energy: -635.403053 where: bonds (distance) C4'-P energy: -136.555 bonds (distance) P-C4' energy: -140.980 flat angles C4'-P-C4' energy: -163.425 flat angles P-C4'-P energy: -74.296 tors. eta vs tors. theta energy: -120.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -1312.084067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.084067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.084067 (E_RNA) where: Base-Base interactions energy: -772.062 where: short stacking energy: -380.397 Base-Backbone interact. energy: -3.745 local terms energy: -536.277639 where: bonds (distance) C4'-P energy: -139.862 bonds (distance) P-C4' energy: -141.696 flat angles C4'-P-C4' energy: -119.861 flat angles P-C4'-P energy: -89.927 tors. eta vs tors. theta energy: -44.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -3279.050425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.050425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.050425 (E_RNA) where: Base-Base interactions energy: -2282.276 where: short stacking energy: -948.437 Base-Backbone interact. energy: -2.022 local terms energy: -994.752144 where: bonds (distance) C4'-P energy: -184.243 bonds (distance) P-C4' energy: -192.878 flat angles C4'-P-C4' energy: -204.926 flat angles P-C4'-P energy: -145.754 tors. eta vs tors. theta energy: -266.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -3091.335220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.335220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.335220 (E_RNA) where: Base-Base interactions energy: -2127.176 where: short stacking energy: -910.536 Base-Backbone interact. energy: -2.215 local terms energy: -961.944336 where: bonds (distance) C4'-P energy: -174.590 bonds (distance) P-C4' energy: -179.250 flat angles C4'-P-C4' energy: -201.606 flat angles P-C4'-P energy: -132.190 tors. eta vs tors. theta energy: -274.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -2995.300955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2995.300955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2995.300955 (E_RNA) where: Base-Base interactions energy: -2086.970 where: short stacking energy: -895.477 Base-Backbone interact. energy: -1.374 local terms energy: -906.957104 where: bonds (distance) C4'-P energy: -156.121 bonds (distance) P-C4' energy: -174.804 flat angles C4'-P-C4' energy: -196.241 flat angles P-C4'-P energy: -127.568 tors. eta vs tors. theta energy: -252.222 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: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -2813.121207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.121207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.121207 (E_RNA) where: Base-Base interactions energy: -1921.076 where: short stacking energy: -828.130 Base-Backbone interact. energy: -2.354 local terms energy: -889.691692 where: bonds (distance) C4'-P energy: -153.004 bonds (distance) P-C4' energy: -172.393 flat angles C4'-P-C4' energy: -187.030 flat angles P-C4'-P energy: -119.898 tors. eta vs tors. theta energy: -257.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -2669.889064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2669.889064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2669.889064 (E_RNA) where: Base-Base interactions energy: -1843.747 where: short stacking energy: -790.341 Base-Backbone interact. energy: -0.396 local terms energy: -825.745642 where: bonds (distance) C4'-P energy: -164.003 bonds (distance) P-C4' energy: -151.633 flat angles C4'-P-C4' energy: -170.989 flat angles P-C4'-P energy: -123.811 tors. eta vs tors. theta energy: -215.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -2561.373568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2561.373568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2561.373568 (E_RNA) where: Base-Base interactions energy: -1750.163 where: short stacking energy: -747.216 Base-Backbone interact. energy: -2.598 local terms energy: -808.612440 where: bonds (distance) C4'-P energy: -150.677 bonds (distance) P-C4' energy: -154.595 flat angles C4'-P-C4' energy: -187.796 flat angles P-C4'-P energy: -106.070 tors. eta vs tors. theta energy: -209.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -2219.610640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2219.610640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2219.610640 (E_RNA) where: Base-Base interactions energy: -1518.217 where: short stacking energy: -640.050 Base-Backbone interact. energy: 1.659 local terms energy: -703.052492 where: bonds (distance) C4'-P energy: -133.071 bonds (distance) P-C4' energy: -146.557 flat angles C4'-P-C4' energy: -166.037 flat angles P-C4'-P energy: -90.859 tors. eta vs tors. theta energy: -166.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1924.404251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1924.404251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1924.404251 (E_RNA) where: Base-Base interactions energy: -1287.545 where: short stacking energy: -579.681 Base-Backbone interact. energy: 0.435 local terms energy: -637.294000 where: bonds (distance) C4'-P energy: -135.517 bonds (distance) P-C4' energy: -142.476 flat angles C4'-P-C4' energy: -153.832 flat angles P-C4'-P energy: -73.546 tors. eta vs tors. theta energy: -131.923 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: 3 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -1909.209043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.209043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.209043 (E_RNA) where: Base-Base interactions energy: -1242.840 where: short stacking energy: -530.166 Base-Backbone interact. energy: -1.857 local terms energy: -664.511866 where: bonds (distance) C4'-P energy: -126.099 bonds (distance) P-C4' energy: -160.556 flat angles C4'-P-C4' energy: -155.155 flat angles P-C4'-P energy: -103.515 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: 10, replica: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -1326.804795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.804795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.804795 (E_RNA) where: Base-Base interactions energy: -827.635 where: short stacking energy: -388.554 Base-Backbone interact. energy: 3.334 local terms energy: -502.503795 where: bonds (distance) C4'-P energy: -143.472 bonds (distance) P-C4' energy: -129.144 flat angles C4'-P-C4' energy: -125.701 flat angles P-C4'-P energy: -73.988 tors. eta vs tors. theta energy: -30.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -3276.040099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.040099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.040099 (E_RNA) where: Base-Base interactions energy: -2317.712 where: short stacking energy: -975.958 Base-Backbone interact. energy: -4.603 local terms energy: -953.725704 where: bonds (distance) C4'-P energy: -169.315 bonds (distance) P-C4' energy: -170.597 flat angles C4'-P-C4' energy: -207.114 flat angles P-C4'-P energy: -131.584 tors. eta vs tors. theta energy: -275.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -3125.998337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3125.998337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3125.998337 (E_RNA) where: Base-Base interactions energy: -2157.449 where: short stacking energy: -950.131 Base-Backbone interact. energy: -4.450 local terms energy: -964.099461 where: bonds (distance) C4'-P energy: -183.144 bonds (distance) P-C4' energy: -181.532 flat angles C4'-P-C4' energy: -202.227 flat angles P-C4'-P energy: -118.668 tors. eta vs tors. theta energy: -278.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -2994.636135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2994.636135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2994.636135 (E_RNA) where: Base-Base interactions energy: -2069.756 where: short stacking energy: -877.188 Base-Backbone interact. energy: -2.986 local terms energy: -921.894670 where: bonds (distance) C4'-P energy: -176.383 bonds (distance) P-C4' energy: -162.376 flat angles C4'-P-C4' energy: -198.088 flat angles P-C4'-P energy: -111.809 tors. eta vs tors. theta energy: -273.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -2790.427332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.427332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.427332 (E_RNA) where: Base-Base interactions energy: -1913.155 where: short stacking energy: -827.835 Base-Backbone interact. energy: -3.968 local terms energy: -873.305057 where: bonds (distance) C4'-P energy: -168.970 bonds (distance) P-C4' energy: -159.000 flat angles C4'-P-C4' energy: -178.471 flat angles P-C4'-P energy: -125.391 tors. eta vs tors. theta energy: -241.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -2691.634709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.634709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.634709 (E_RNA) where: Base-Base interactions energy: -1857.176 where: short stacking energy: -762.274 Base-Backbone interact. energy: -4.216 local terms energy: -830.243362 where: bonds (distance) C4'-P energy: -160.466 bonds (distance) P-C4' energy: -152.905 flat angles C4'-P-C4' energy: -189.956 flat angles P-C4'-P energy: -116.522 tors. eta vs tors. theta energy: -210.393 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: 6 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -2450.265849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2450.265849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2450.265849 (E_RNA) where: Base-Base interactions energy: -1640.785 where: short stacking energy: -712.249 Base-Backbone interact. energy: -3.273 local terms energy: -806.207416 where: bonds (distance) C4'-P energy: -160.848 bonds (distance) P-C4' energy: -174.430 flat angles C4'-P-C4' energy: -172.926 flat angles P-C4'-P energy: -124.555 tors. eta vs tors. theta energy: -173.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -2191.639074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2191.639074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2191.639074 (E_RNA) where: Base-Base interactions energy: -1484.231 where: short stacking energy: -627.680 Base-Backbone interact. energy: -3.683 local terms energy: -703.724963 where: bonds (distance) C4'-P energy: -161.407 bonds (distance) P-C4' energy: -149.638 flat angles C4'-P-C4' energy: -164.430 flat angles P-C4'-P energy: -106.710 tors. eta vs tors. theta energy: -121.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1886.484915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.484915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.484915 (E_RNA) where: Base-Base interactions energy: -1225.333 where: short stacking energy: -548.665 Base-Backbone interact. energy: -0.212 local terms energy: -660.939583 where: bonds (distance) C4'-P energy: -134.902 bonds (distance) P-C4' energy: -156.027 flat angles C4'-P-C4' energy: -150.785 flat angles P-C4'-P energy: -87.303 tors. eta vs tors. theta energy: -131.922 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: 3 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -1857.111704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.111704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.111704 (E_RNA) where: Base-Base interactions energy: -1183.489 where: short stacking energy: -509.410 Base-Backbone interact. energy: 1.133 local terms energy: -674.755824 where: bonds (distance) C4'-P energy: -152.098 bonds (distance) P-C4' energy: -168.152 flat angles C4'-P-C4' energy: -142.154 flat angles P-C4'-P energy: -106.838 tors. eta vs tors. theta energy: -105.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -1382.076688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.076688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.076688 (E_RNA) where: Base-Base interactions energy: -832.209 where: short stacking energy: -384.873 Base-Backbone interact. energy: 0.729 local terms energy: -550.596098 where: bonds (distance) C4'-P energy: -130.310 bonds (distance) P-C4' energy: -164.431 flat angles C4'-P-C4' energy: -136.402 flat angles P-C4'-P energy: -84.220 tors. eta vs tors. theta energy: -35.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -3287.604140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3287.604140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3287.604140 (E_RNA) where: Base-Base interactions energy: -2321.470 where: short stacking energy: -986.834 Base-Backbone interact. energy: -3.760 local terms energy: -962.374891 where: bonds (distance) C4'-P energy: -159.325 bonds (distance) P-C4' energy: -180.364 flat angles C4'-P-C4' energy: -199.818 flat angles P-C4'-P energy: -143.426 tors. eta vs tors. theta energy: -279.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -3074.801639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.801639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.801639 (E_RNA) where: Base-Base interactions energy: -2109.813 where: short stacking energy: -916.721 Base-Backbone interact. energy: 0.696 local terms energy: -965.684697 where: bonds (distance) C4'-P energy: -188.749 bonds (distance) P-C4' energy: -179.960 flat angles C4'-P-C4' energy: -197.296 flat angles P-C4'-P energy: -136.331 tors. eta vs tors. theta energy: -263.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -2959.497450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.497450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.497450 (E_RNA) where: Base-Base interactions energy: -2031.783 where: short stacking energy: -886.916 Base-Backbone interact. energy: -4.954 local terms energy: -922.761110 where: bonds (distance) C4'-P energy: -168.860 bonds (distance) P-C4' energy: -167.761 flat angles C4'-P-C4' energy: -190.395 flat angles P-C4'-P energy: -141.331 tors. eta vs tors. theta energy: -254.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -2834.054702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.054702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.054702 (E_RNA) where: Base-Base interactions energy: -1966.867 where: short stacking energy: -879.043 Base-Backbone interact. energy: -0.444 local terms energy: -866.744238 where: bonds (distance) C4'-P energy: -155.878 bonds (distance) P-C4' energy: -168.431 flat angles C4'-P-C4' energy: -184.449 flat angles P-C4'-P energy: -106.787 tors. eta vs tors. theta energy: -251.200 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: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -2710.008939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.008939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.008939 (E_RNA) where: Base-Base interactions energy: -1864.034 where: short stacking energy: -785.696 Base-Backbone interact. energy: 3.980 local terms energy: -849.954792 where: bonds (distance) C4'-P energy: -150.818 bonds (distance) P-C4' energy: -170.746 flat angles C4'-P-C4' energy: -199.146 flat angles P-C4'-P energy: -117.756 tors. eta vs tors. theta energy: -211.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -2498.386766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.386766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.386766 (E_RNA) where: Base-Base interactions energy: -1705.006 where: short stacking energy: -698.767 Base-Backbone interact. energy: -0.968 local terms energy: -792.411880 where: bonds (distance) C4'-P energy: -159.003 bonds (distance) P-C4' energy: -159.102 flat angles C4'-P-C4' energy: -171.269 flat angles P-C4'-P energy: -115.428 tors. eta vs tors. theta energy: -187.609 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: 10 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -2252.814904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2252.814904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2252.814904 (E_RNA) where: Base-Base interactions energy: -1510.727 where: short stacking energy: -634.924 Base-Backbone interact. energy: -3.465 local terms energy: -738.622898 where: bonds (distance) C4'-P energy: -156.561 bonds (distance) P-C4' energy: -153.254 flat angles C4'-P-C4' energy: -156.822 flat angles P-C4'-P energy: -106.258 tors. eta vs tors. theta energy: -165.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1965.006181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1965.006181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1965.006181 (E_RNA) where: Base-Base interactions energy: -1332.075 where: short stacking energy: -571.715 Base-Backbone interact. energy: -6.176 local terms energy: -626.755745 where: bonds (distance) C4'-P energy: -123.036 bonds (distance) P-C4' energy: -141.382 flat angles C4'-P-C4' energy: -144.794 flat angles P-C4'-P energy: -94.606 tors. eta vs tors. theta energy: -122.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -1862.248357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.248357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.248357 (E_RNA) where: Base-Base interactions energy: -1232.023 where: short stacking energy: -527.024 Base-Backbone interact. energy: -0.890 local terms energy: -629.335951 where: bonds (distance) C4'-P energy: -151.652 bonds (distance) P-C4' energy: -135.025 flat angles C4'-P-C4' energy: -145.696 flat angles P-C4'-P energy: -88.972 tors. eta vs tors. theta energy: -107.991 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: 10, replica: 5 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -1379.759697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.759697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.759697 (E_RNA) where: Base-Base interactions energy: -830.988 where: short stacking energy: -389.771 Base-Backbone interact. energy: -1.823 local terms energy: -546.948197 where: bonds (distance) C4'-P energy: -131.290 bonds (distance) P-C4' energy: -143.615 flat angles C4'-P-C4' energy: -138.707 flat angles P-C4'-P energy: -94.949 tors. eta vs tors. theta energy: -38.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -3294.968417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.968417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.968417 (E_RNA) where: Base-Base interactions energy: -2302.250 where: short stacking energy: -955.323 Base-Backbone interact. energy: -4.181 local terms energy: -988.538182 where: bonds (distance) C4'-P energy: -178.136 bonds (distance) P-C4' energy: -178.281 flat angles C4'-P-C4' energy: -215.344 flat angles P-C4'-P energy: -141.952 tors. eta vs tors. theta energy: -274.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -3145.834326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3145.834326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3145.834326 (E_RNA) where: Base-Base interactions energy: -2184.185 where: short stacking energy: -908.301 Base-Backbone interact. energy: -1.574 local terms energy: -960.075319 where: bonds (distance) C4'-P energy: -163.739 bonds (distance) P-C4' energy: -195.041 flat angles C4'-P-C4' energy: -197.283 flat angles P-C4'-P energy: -141.084 tors. eta vs tors. theta energy: -262.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -3017.914030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.914030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.914030 (E_RNA) where: Base-Base interactions energy: -2080.327 where: short stacking energy: -890.212 Base-Backbone interact. energy: -3.150 local terms energy: -934.436903 where: bonds (distance) C4'-P energy: -167.222 bonds (distance) P-C4' energy: -168.515 flat angles C4'-P-C4' energy: -198.651 flat angles P-C4'-P energy: -140.199 tors. eta vs tors. theta energy: -259.849 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: 262 Temperature: 1.050000 Total energy: -2823.847027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.847027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.847027 (E_RNA) where: Base-Base interactions energy: -1948.991 where: short stacking energy: -825.095 Base-Backbone interact. energy: -4.202 local terms energy: -870.653673 where: bonds (distance) C4'-P energy: -153.179 bonds (distance) P-C4' energy: -171.426 flat angles C4'-P-C4' energy: -179.828 flat angles P-C4'-P energy: -127.075 tors. eta vs tors. theta energy: -239.146 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: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -2677.171925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.171925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.171925 (E_RNA) where: Base-Base interactions energy: -1844.553 where: short stacking energy: -779.553 Base-Backbone interact. energy: -2.581 local terms energy: -830.037530 where: bonds (distance) C4'-P energy: -145.217 bonds (distance) P-C4' energy: -164.892 flat angles C4'-P-C4' energy: -185.102 flat angles P-C4'-P energy: -111.272 tors. eta vs tors. theta energy: -223.555 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: 6, replica: 6 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -2473.820001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2473.820001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2473.820001 (E_RNA) where: Base-Base interactions energy: -1674.689 where: short stacking energy: -730.082 Base-Backbone interact. energy: 0.946 local terms energy: -800.076361 where: bonds (distance) C4'-P energy: -176.394 bonds (distance) P-C4' energy: -151.246 flat angles C4'-P-C4' energy: -178.002 flat angles P-C4'-P energy: -112.568 tors. eta vs tors. theta energy: -181.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -2207.251156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2207.251156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2207.251156 (E_RNA) where: Base-Base interactions energy: -1452.655 where: short stacking energy: -626.899 Base-Backbone interact. energy: -3.219 local terms energy: -751.376698 where: bonds (distance) C4'-P energy: -138.764 bonds (distance) P-C4' energy: -166.949 flat angles C4'-P-C4' energy: -175.467 flat angles P-C4'-P energy: -114.847 tors. eta vs tors. theta energy: -155.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1943.529085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.529085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.529085 (E_RNA) where: Base-Base interactions energy: -1262.962 where: short stacking energy: -555.671 Base-Backbone interact. energy: -2.241 local terms energy: -678.326016 where: bonds (distance) C4'-P energy: -136.265 bonds (distance) P-C4' energy: -158.397 flat angles C4'-P-C4' energy: -161.481 flat angles P-C4'-P energy: -90.147 tors. eta vs tors. theta energy: -132.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -1859.853755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.853755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.853755 (E_RNA) where: Base-Base interactions energy: -1227.071 where: short stacking energy: -531.503 Base-Backbone interact. energy: 0.020 local terms energy: -632.802549 where: bonds (distance) C4'-P energy: -131.518 bonds (distance) P-C4' energy: -151.326 flat angles C4'-P-C4' energy: -157.451 flat angles P-C4'-P energy: -89.495 tors. eta vs tors. theta energy: -103.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -1372.691898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.691898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.691898 (E_RNA) where: Base-Base interactions energy: -817.218 where: short stacking energy: -385.680 Base-Backbone interact. energy: 6.546 local terms energy: -562.019784 where: bonds (distance) C4'-P energy: -135.523 bonds (distance) P-C4' energy: -141.812 flat angles C4'-P-C4' energy: -158.311 flat angles P-C4'-P energy: -85.080 tors. eta vs tors. theta energy: -41.294 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: 2 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -3292.077253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3292.077253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3292.077253 (E_RNA) where: Base-Base interactions energy: -2308.643 where: short stacking energy: -974.461 Base-Backbone interact. energy: -3.844 local terms energy: -979.590824 where: bonds (distance) C4'-P energy: -174.696 bonds (distance) P-C4' energy: -181.139 flat angles C4'-P-C4' energy: -208.613 flat angles P-C4'-P energy: -132.351 tors. eta vs tors. theta energy: -282.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -3111.945742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.945742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.945742 (E_RNA) where: Base-Base interactions energy: -2183.149 where: short stacking energy: -905.297 Base-Backbone interact. energy: -0.144 local terms energy: -928.652864 where: bonds (distance) C4'-P energy: -170.757 bonds (distance) P-C4' energy: -184.808 flat angles C4'-P-C4' energy: -187.692 flat angles P-C4'-P energy: -123.857 tors. eta vs tors. theta energy: -261.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -3044.377430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.377430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.377430 (E_RNA) where: Base-Base interactions energy: -2101.974 where: short stacking energy: -903.929 Base-Backbone interact. energy: -4.211 local terms energy: -938.193232 where: bonds (distance) C4'-P energy: -181.568 bonds (distance) P-C4' energy: -172.470 flat angles C4'-P-C4' energy: -198.185 flat angles P-C4'-P energy: -128.554 tors. eta vs tors. theta energy: -257.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -2803.731655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.731655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.731655 (E_RNA) where: Base-Base interactions energy: -1914.237 where: short stacking energy: -834.381 Base-Backbone interact. energy: -1.933 local terms energy: -887.561519 where: bonds (distance) C4'-P energy: -168.859 bonds (distance) P-C4' energy: -152.824 flat angles C4'-P-C4' energy: -194.753 flat angles P-C4'-P energy: -133.242 tors. eta vs tors. theta energy: -237.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -2662.846905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.846905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.846905 (E_RNA) where: Base-Base interactions energy: -1865.551 where: short stacking energy: -759.752 Base-Backbone interact. energy: 1.637 local terms energy: -798.933128 where: bonds (distance) C4'-P energy: -157.365 bonds (distance) P-C4' energy: -160.614 flat angles C4'-P-C4' energy: -180.830 flat angles P-C4'-P energy: -107.685 tors. eta vs tors. theta energy: -192.439 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: 6, replica: 6 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -2503.164945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.164945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.164945 (E_RNA) where: Base-Base interactions energy: -1710.232 where: short stacking energy: -730.238 Base-Backbone interact. energy: 4.713 local terms energy: -797.645875 where: bonds (distance) C4'-P energy: -155.940 bonds (distance) P-C4' energy: -150.802 flat angles C4'-P-C4' energy: -179.185 flat angles P-C4'-P energy: -111.227 tors. eta vs tors. theta energy: -200.492 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: 10 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -2179.344991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2179.344991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2179.344991 (E_RNA) where: Base-Base interactions energy: -1485.070 where: short stacking energy: -620.022 Base-Backbone interact. energy: 1.886 local terms energy: -696.161545 where: bonds (distance) C4'-P energy: -135.210 bonds (distance) P-C4' energy: -164.061 flat angles C4'-P-C4' energy: -176.501 flat angles P-C4'-P energy: -89.178 tors. eta vs tors. theta energy: -131.211 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: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1995.646200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1995.646200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1995.646200 (E_RNA) where: Base-Base interactions energy: -1295.915 where: short stacking energy: -569.901 Base-Backbone interact. energy: -2.353 local terms energy: -697.377711 where: bonds (distance) C4'-P energy: -136.395 bonds (distance) P-C4' energy: -146.720 flat angles C4'-P-C4' energy: -160.168 flat angles P-C4'-P energy: -120.710 tors. eta vs tors. theta energy: -133.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -1688.619882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.619882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.619882 (E_RNA) where: Base-Base interactions energy: -1083.539 where: short stacking energy: -475.771 Base-Backbone interact. energy: -0.985 local terms energy: -604.095685 where: bonds (distance) C4'-P energy: -140.528 bonds (distance) P-C4' energy: -145.231 flat angles C4'-P-C4' energy: -149.061 flat angles P-C4'-P energy: -93.321 tors. eta vs tors. theta energy: -75.954 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: 5 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -1329.006716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.006716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.006716 (E_RNA) where: Base-Base interactions energy: -820.900 where: short stacking energy: -388.323 Base-Backbone interact. energy: 6.677 local terms energy: -514.783650 where: bonds (distance) C4'-P energy: -119.788 bonds (distance) P-C4' energy: -141.725 flat angles C4'-P-C4' energy: -140.305 flat angles P-C4'-P energy: -77.995 tors. eta vs tors. theta energy: -34.971 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: 2 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -3295.230639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3295.230639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3295.230639 (E_RNA) where: Base-Base interactions energy: -2299.970 where: short stacking energy: -973.214 Base-Backbone interact. energy: -2.628 local terms energy: -992.632583 where: bonds (distance) C4'-P energy: -174.551 bonds (distance) P-C4' energy: -181.925 flat angles C4'-P-C4' energy: -219.228 flat angles P-C4'-P energy: -137.346 tors. eta vs tors. theta energy: -279.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -3116.200374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.200374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.200374 (E_RNA) where: Base-Base interactions energy: -2162.848 where: short stacking energy: -919.901 Base-Backbone interact. energy: -0.881 local terms energy: -952.471837 where: bonds (distance) C4'-P energy: -181.473 bonds (distance) P-C4' energy: -161.449 flat angles C4'-P-C4' energy: -210.147 flat angles P-C4'-P energy: -133.984 tors. eta vs tors. theta energy: -265.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -3010.091744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3010.091744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3010.091744 (E_RNA) where: Base-Base interactions energy: -2084.845 where: short stacking energy: -909.250 Base-Backbone interact. energy: 1.661 local terms energy: -926.907827 where: bonds (distance) C4'-P energy: -171.280 bonds (distance) P-C4' energy: -157.915 flat angles C4'-P-C4' energy: -200.399 flat angles P-C4'-P energy: -120.696 tors. eta vs tors. theta energy: -276.617 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: 264 Temperature: 1.050000 Total energy: -2815.160447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.160447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.160447 (E_RNA) where: Base-Base interactions energy: -1931.064 where: short stacking energy: -834.645 Base-Backbone interact. energy: -6.547 local terms energy: -877.549647 where: bonds (distance) C4'-P energy: -160.901 bonds (distance) P-C4' energy: -155.594 flat angles C4'-P-C4' energy: -201.147 flat angles P-C4'-P energy: -110.151 tors. eta vs tors. theta energy: -249.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -2714.865349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.865349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.865349 (E_RNA) where: Base-Base interactions energy: -1899.090 where: short stacking energy: -794.220 Base-Backbone interact. energy: 2.111 local terms energy: -817.886616 where: bonds (distance) C4'-P energy: -129.056 bonds (distance) P-C4' energy: -154.298 flat angles C4'-P-C4' energy: -186.430 flat angles P-C4'-P energy: -133.997 tors. eta vs tors. theta energy: -214.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -2498.854099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2498.854099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2498.854099 (E_RNA) where: Base-Base interactions energy: -1723.164 where: short stacking energy: -721.473 Base-Backbone interact. energy: 4.103 local terms energy: -779.793913 where: bonds (distance) C4'-P energy: -149.828 bonds (distance) P-C4' energy: -174.929 flat angles C4'-P-C4' energy: -159.433 flat angles P-C4'-P energy: -99.946 tors. eta vs tors. theta energy: -195.658 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: 10 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -2199.235813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2199.235813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2199.235813 (E_RNA) where: Base-Base interactions energy: -1490.403 where: short stacking energy: -630.312 Base-Backbone interact. energy: 0.463 local terms energy: -709.295194 where: bonds (distance) C4'-P energy: -167.338 bonds (distance) P-C4' energy: -151.227 flat angles C4'-P-C4' energy: -151.929 flat angles P-C4'-P energy: -102.395 tors. eta vs tors. theta energy: -136.407 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: 8, replica: 3 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -2010.915096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.915096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.915096 (E_RNA) where: Base-Base interactions energy: -1362.448 where: short stacking energy: -598.153 Base-Backbone interact. energy: -1.846 local terms energy: -646.621058 where: bonds (distance) C4'-P energy: -128.112 bonds (distance) P-C4' energy: -147.519 flat angles C4'-P-C4' energy: -147.084 flat angles P-C4'-P energy: -90.280 tors. eta vs tors. theta energy: -133.625 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: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -1631.249128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.249128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.249128 (E_RNA) where: Base-Base interactions energy: -1029.980 where: short stacking energy: -425.658 Base-Backbone interact. energy: 1.266 local terms energy: -602.535268 where: bonds (distance) C4'-P energy: -158.422 bonds (distance) P-C4' energy: -135.749 flat angles C4'-P-C4' energy: -150.023 flat angles P-C4'-P energy: -80.120 tors. eta vs tors. theta energy: -78.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -1443.544993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.544993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.544993 (E_RNA) where: Base-Base interactions energy: -944.684 where: short stacking energy: -471.362 Base-Backbone interact. energy: -1.783 local terms energy: -497.078072 where: bonds (distance) C4'-P energy: -116.990 bonds (distance) P-C4' energy: -121.352 flat angles C4'-P-C4' energy: -129.108 flat angles P-C4'-P energy: -74.261 tors. eta vs tors. theta energy: -55.367 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: 2 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -3283.645989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3283.645989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3283.645989 (E_RNA) where: Base-Base interactions energy: -2296.746 where: short stacking energy: -967.578 Base-Backbone interact. energy: -1.257 local terms energy: -985.642710 where: bonds (distance) C4'-P energy: -170.729 bonds (distance) P-C4' energy: -188.534 flat angles C4'-P-C4' energy: -205.718 flat angles P-C4'-P energy: -139.588 tors. eta vs tors. theta energy: -281.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -3108.586532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.586532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.586532 (E_RNA) where: Base-Base interactions energy: -2154.317 where: short stacking energy: -881.395 Base-Backbone interact. energy: -0.062 local terms energy: -954.207095 where: bonds (distance) C4'-P energy: -160.561 bonds (distance) P-C4' energy: -186.792 flat angles C4'-P-C4' energy: -206.118 flat angles P-C4'-P energy: -138.274 tors. eta vs tors. theta energy: -262.462 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: 1 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -3029.178494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.178494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.178494 (E_RNA) where: Base-Base interactions energy: -2102.258 where: short stacking energy: -887.604 Base-Backbone interact. energy: -0.577 local terms energy: -926.343648 where: bonds (distance) C4'-P energy: -166.739 bonds (distance) P-C4' energy: -183.376 flat angles C4'-P-C4' energy: -198.295 flat angles P-C4'-P energy: -125.265 tors. eta vs tors. theta energy: -252.670 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: 265 Temperature: 1.050000 Total energy: -2790.893367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.893367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.893367 (E_RNA) where: Base-Base interactions energy: -1937.648 where: short stacking energy: -833.226 Base-Backbone interact. energy: -0.728 local terms energy: -852.517236 where: bonds (distance) C4'-P energy: -155.660 bonds (distance) P-C4' energy: -161.656 flat angles C4'-P-C4' energy: -195.963 flat angles P-C4'-P energy: -124.746 tors. eta vs tors. theta energy: -214.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -2667.744529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.744529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.744529 (E_RNA) where: Base-Base interactions energy: -1816.400 where: short stacking energy: -789.540 Base-Backbone interact. energy: -3.060 local terms energy: -848.284526 where: bonds (distance) C4'-P energy: -179.514 bonds (distance) P-C4' energy: -163.310 flat angles C4'-P-C4' energy: -181.645 flat angles P-C4'-P energy: -104.554 tors. eta vs tors. theta energy: -219.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -2442.142808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.142808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.142808 (E_RNA) where: Base-Base interactions energy: -1684.200 where: short stacking energy: -719.651 Base-Backbone interact. energy: 8.494 local terms energy: -766.437357 where: bonds (distance) C4'-P energy: -150.792 bonds (distance) P-C4' energy: -163.199 flat angles C4'-P-C4' energy: -166.056 flat angles P-C4'-P energy: -105.504 tors. eta vs tors. theta energy: -180.886 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: 10 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -2187.376129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2187.376129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2187.376129 (E_RNA) where: Base-Base interactions energy: -1479.354 where: short stacking energy: -620.034 Base-Backbone interact. energy: -4.387 local terms energy: -703.635213 where: bonds (distance) C4'-P energy: -161.368 bonds (distance) P-C4' energy: -151.750 flat angles C4'-P-C4' energy: -144.561 flat angles P-C4'-P energy: -104.668 tors. eta vs tors. theta energy: -141.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -2114.110647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2114.110647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2114.110647 (E_RNA) where: Base-Base interactions energy: -1430.350 where: short stacking energy: -635.034 Base-Backbone interact. energy: 9.568 local terms energy: -693.328921 where: bonds (distance) C4'-P energy: -134.047 bonds (distance) P-C4' energy: -151.869 flat angles C4'-P-C4' energy: -146.153 flat angles P-C4'-P energy: -111.703 tors. eta vs tors. theta energy: -149.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -1624.772670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.772670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.772670 (E_RNA) where: Base-Base interactions energy: -1042.607 where: short stacking energy: -490.723 Base-Backbone interact. energy: 4.061 local terms energy: -586.227270 where: bonds (distance) C4'-P energy: -138.452 bonds (distance) P-C4' energy: -160.363 flat angles C4'-P-C4' energy: -110.295 flat angles P-C4'-P energy: -88.689 tors. eta vs tors. theta energy: -88.428 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: 5 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -1498.589359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.589359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.589359 (E_RNA) where: Base-Base interactions energy: -966.280 where: short stacking energy: -430.803 Base-Backbone interact. energy: -2.961 local terms energy: -529.348109 where: bonds (distance) C4'-P energy: -142.283 bonds (distance) P-C4' energy: -124.846 flat angles C4'-P-C4' energy: -138.248 flat angles P-C4'-P energy: -81.862 tors. eta vs tors. theta energy: -42.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -3296.472553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.472553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.472553 (E_RNA) where: Base-Base interactions energy: -2316.178 where: short stacking energy: -984.347 Base-Backbone interact. energy: -1.926 local terms energy: -978.368830 where: bonds (distance) C4'-P energy: -196.519 bonds (distance) P-C4' energy: -174.921 flat angles C4'-P-C4' energy: -197.174 flat angles P-C4'-P energy: -122.416 tors. eta vs tors. theta energy: -287.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -3091.602643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.602643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.602643 (E_RNA) where: Base-Base interactions energy: -2145.445 where: short stacking energy: -894.129 Base-Backbone interact. energy: -1.857 local terms energy: -944.301517 where: bonds (distance) C4'-P energy: -168.205 bonds (distance) P-C4' energy: -181.550 flat angles C4'-P-C4' energy: -210.031 flat angles P-C4'-P energy: -128.275 tors. eta vs tors. theta energy: -256.241 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: 3, replica: 1 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -3015.931178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.931178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.931178 (E_RNA) where: Base-Base interactions energy: -2073.575 where: short stacking energy: -904.065 Base-Backbone interact. energy: -2.516 local terms energy: -939.839936 where: bonds (distance) C4'-P energy: -177.594 bonds (distance) P-C4' energy: -179.077 flat angles C4'-P-C4' energy: -198.174 flat angles P-C4'-P energy: -121.544 tors. eta vs tors. theta energy: -263.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -2796.398145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.398145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.398145 (E_RNA) where: Base-Base interactions energy: -1917.250 where: short stacking energy: -824.230 Base-Backbone interact. energy: -0.667 local terms energy: -878.480648 where: bonds (distance) C4'-P energy: -177.761 bonds (distance) P-C4' energy: -170.861 flat angles C4'-P-C4' energy: -184.650 flat angles P-C4'-P energy: -120.284 tors. eta vs tors. theta energy: -224.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -2700.379136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.379136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.379136 (E_RNA) where: Base-Base interactions energy: -1855.717 where: short stacking energy: -834.303 Base-Backbone interact. energy: -3.790 local terms energy: -840.871535 where: bonds (distance) C4'-P energy: -141.018 bonds (distance) P-C4' energy: -172.967 flat angles C4'-P-C4' energy: -188.885 flat angles P-C4'-P energy: -117.014 tors. eta vs tors. theta energy: -220.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -2451.269868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.269868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.269868 (E_RNA) where: Base-Base interactions energy: -1646.790 where: short stacking energy: -744.752 Base-Backbone interact. energy: -4.267 local terms energy: -800.212029 where: bonds (distance) C4'-P energy: -155.830 bonds (distance) P-C4' energy: -154.423 flat angles C4'-P-C4' energy: -178.241 flat angles P-C4'-P energy: -110.514 tors. eta vs tors. theta energy: -201.205 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: 7, replica: 10 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -2161.538477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2161.538477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2161.538477 (E_RNA) where: Base-Base interactions energy: -1458.562 where: short stacking energy: -596.654 Base-Backbone interact. energy: -4.525 local terms energy: -698.451445 where: bonds (distance) C4'-P energy: -166.397 bonds (distance) P-C4' energy: -149.830 flat angles C4'-P-C4' energy: -149.205 flat angles P-C4'-P energy: -104.503 tors. eta vs tors. theta energy: -128.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -2141.144777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2141.144777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2141.144777 (E_RNA) where: Base-Base interactions energy: -1432.020 where: short stacking energy: -642.357 Base-Backbone interact. energy: 4.505 local terms energy: -713.630390 where: bonds (distance) C4'-P energy: -136.797 bonds (distance) P-C4' energy: -142.750 flat angles C4'-P-C4' energy: -163.663 flat angles P-C4'-P energy: -107.321 tors. eta vs tors. theta energy: -163.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -1714.233611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.233611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.233611 (E_RNA) where: Base-Base interactions energy: -1111.296 where: short stacking energy: -511.480 Base-Backbone interact. energy: 3.122 local terms energy: -606.060110 where: bonds (distance) C4'-P energy: -141.117 bonds (distance) P-C4' energy: -137.904 flat angles C4'-P-C4' energy: -123.100 flat angles P-C4'-P energy: -101.704 tors. eta vs tors. theta energy: -102.236 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: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -1479.248372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.248372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.248372 (E_RNA) where: Base-Base interactions energy: -897.978 where: short stacking energy: -400.079 Base-Backbone interact. energy: -0.437 local terms energy: -580.832955 where: bonds (distance) C4'-P energy: -142.521 bonds (distance) P-C4' energy: -155.790 flat angles C4'-P-C4' energy: -136.602 flat angles P-C4'-P energy: -79.106 tors. eta vs tors. theta energy: -66.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -3276.180394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.180394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.180394 (E_RNA) where: Base-Base interactions energy: -2279.327 where: short stacking energy: -982.527 Base-Backbone interact. energy: -3.265 local terms energy: -993.587822 where: bonds (distance) C4'-P energy: -163.061 bonds (distance) P-C4' energy: -187.270 flat angles C4'-P-C4' energy: -213.379 flat angles P-C4'-P energy: -143.266 tors. eta vs tors. theta energy: -286.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -3093.042425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.042425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.042425 (E_RNA) where: Base-Base interactions energy: -2138.925 where: short stacking energy: -885.598 Base-Backbone interact. energy: 4.689 local terms energy: -958.806640 where: bonds (distance) C4'-P energy: -175.675 bonds (distance) P-C4' energy: -179.475 flat angles C4'-P-C4' energy: -211.778 flat angles P-C4'-P energy: -140.181 tors. eta vs tors. theta energy: -251.697 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: 1 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -2970.459391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2970.459391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2970.459391 (E_RNA) where: Base-Base interactions energy: -2048.882 where: short stacking energy: -898.751 Base-Backbone interact. energy: -2.244 local terms energy: -919.333366 where: bonds (distance) C4'-P energy: -168.631 bonds (distance) P-C4' energy: -158.541 flat angles C4'-P-C4' energy: -190.833 flat angles P-C4'-P energy: -135.404 tors. eta vs tors. theta energy: -265.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -2792.127803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.127803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.127803 (E_RNA) where: Base-Base interactions energy: -1951.893 where: short stacking energy: -833.660 Base-Backbone interact. energy: 5.811 local terms energy: -846.045888 where: bonds (distance) C4'-P energy: -158.123 bonds (distance) P-C4' energy: -161.372 flat angles C4'-P-C4' energy: -180.786 flat angles P-C4'-P energy: -127.639 tors. eta vs tors. theta energy: -218.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -2631.413914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.413914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.413914 (E_RNA) where: Base-Base interactions energy: -1799.291 where: short stacking energy: -789.955 Base-Backbone interact. energy: -0.256 local terms energy: -831.867014 where: bonds (distance) C4'-P energy: -136.645 bonds (distance) P-C4' energy: -162.250 flat angles C4'-P-C4' energy: -188.985 flat angles P-C4'-P energy: -111.326 tors. eta vs tors. theta energy: -232.661 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: 6, replica: 6 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -2506.792848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.792848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.792848 (E_RNA) where: Base-Base interactions energy: -1693.253 where: short stacking energy: -754.724 Base-Backbone interact. energy: -1.077 local terms energy: -812.462646 where: bonds (distance) C4'-P energy: -153.002 bonds (distance) P-C4' energy: -157.318 flat angles C4'-P-C4' energy: -186.315 flat angles P-C4'-P energy: -103.948 tors. eta vs tors. theta energy: -211.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -2176.930432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2176.930432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2176.930432 (E_RNA) where: Base-Base interactions energy: -1460.010 where: short stacking energy: -648.153 Base-Backbone interact. energy: -1.488 local terms energy: -715.432645 where: bonds (distance) C4'-P energy: -148.292 bonds (distance) P-C4' energy: -151.241 flat angles C4'-P-C4' energy: -168.816 flat angles P-C4'-P energy: -106.688 tors. eta vs tors. theta energy: -140.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -2205.823792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2205.823792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2205.823792 (E_RNA) where: Base-Base interactions energy: -1493.178 where: short stacking energy: -683.607 Base-Backbone interact. energy: -0.088 local terms energy: -712.558172 where: bonds (distance) C4'-P energy: -139.466 bonds (distance) P-C4' energy: -137.122 flat angles C4'-P-C4' energy: -168.000 flat angles P-C4'-P energy: -108.775 tors. eta vs tors. theta energy: -159.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -1679.400322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.400322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.400322 (E_RNA) where: Base-Base interactions energy: -1089.909 where: short stacking energy: -469.027 Base-Backbone interact. energy: -2.258 local terms energy: -587.233769 where: bonds (distance) C4'-P energy: -134.318 bonds (distance) P-C4' energy: -131.314 flat angles C4'-P-C4' energy: -150.092 flat angles P-C4'-P energy: -87.736 tors. eta vs tors. theta energy: -83.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -1371.407139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.407139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.407139 (E_RNA) where: Base-Base interactions energy: -851.523 where: short stacking energy: -404.376 Base-Backbone interact. energy: 3.932 local terms energy: -523.816708 where: bonds (distance) C4'-P energy: -129.027 bonds (distance) P-C4' energy: -135.361 flat angles C4'-P-C4' energy: -141.749 flat angles P-C4'-P energy: -62.072 tors. eta vs tors. theta energy: -55.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -3274.058660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3274.058660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3274.058660 (E_RNA) where: Base-Base interactions energy: -2276.297 where: short stacking energy: -987.264 Base-Backbone interact. energy: -2.653 local terms energy: -995.108991 where: bonds (distance) C4'-P energy: -173.191 bonds (distance) P-C4' energy: -185.455 flat angles C4'-P-C4' energy: -217.626 flat angles P-C4'-P energy: -141.815 tors. eta vs tors. theta energy: -277.022 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: 7 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -3114.079587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.079587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.079587 (E_RNA) where: Base-Base interactions energy: -2172.820 where: short stacking energy: -922.353 Base-Backbone interact. energy: 2.131 local terms energy: -943.390881 where: bonds (distance) C4'-P energy: -167.565 bonds (distance) P-C4' energy: -190.794 flat angles C4'-P-C4' energy: -202.680 flat angles P-C4'-P energy: -123.847 tors. eta vs tors. theta energy: -258.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -2975.527797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.527797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.527797 (E_RNA) where: Base-Base interactions energy: -2046.411 where: short stacking energy: -887.658 Base-Backbone interact. energy: -2.942 local terms energy: -926.175076 where: bonds (distance) C4'-P energy: -155.412 bonds (distance) P-C4' energy: -184.677 flat angles C4'-P-C4' energy: -204.680 flat angles P-C4'-P energy: -127.143 tors. eta vs tors. theta energy: -254.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -2786.392659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.392659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.392659 (E_RNA) where: Base-Base interactions energy: -1941.829 where: short stacking energy: -819.333 Base-Backbone interact. energy: 3.931 local terms energy: -848.494409 where: bonds (distance) C4'-P energy: -162.335 bonds (distance) P-C4' energy: -155.742 flat angles C4'-P-C4' energy: -184.932 flat angles P-C4'-P energy: -115.803 tors. eta vs tors. theta energy: -229.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -2680.003100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.003100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.003100 (E_RNA) where: Base-Base interactions energy: -1817.435 where: short stacking energy: -786.837 Base-Backbone interact. energy: -1.007 local terms energy: -861.560570 where: bonds (distance) C4'-P energy: -137.999 bonds (distance) P-C4' energy: -177.689 flat angles C4'-P-C4' energy: -187.133 flat angles P-C4'-P energy: -131.124 tors. eta vs tors. theta energy: -227.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -2516.373900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.373900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.373900 (E_RNA) where: Base-Base interactions energy: -1725.169 where: short stacking energy: -742.868 Base-Backbone interact. energy: -0.053 local terms energy: -791.152314 where: bonds (distance) C4'-P energy: -135.019 bonds (distance) P-C4' energy: -181.780 flat angles C4'-P-C4' energy: -179.796 flat angles P-C4'-P energy: -105.434 tors. eta vs tors. theta energy: -189.124 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: 7, replica: 3 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -2277.623948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2277.623948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2277.623948 (E_RNA) where: Base-Base interactions energy: -1536.957 where: short stacking energy: -691.943 Base-Backbone interact. energy: -2.346 local terms energy: -738.320373 where: bonds (distance) C4'-P energy: -139.592 bonds (distance) P-C4' energy: -141.326 flat angles C4'-P-C4' energy: -176.452 flat angles P-C4'-P energy: -102.541 tors. eta vs tors. theta energy: -178.409 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: 10 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -2059.060625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2059.060625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2059.060625 (E_RNA) where: Base-Base interactions energy: -1362.597 where: short stacking energy: -570.613 Base-Backbone interact. energy: -3.617 local terms energy: -692.847086 where: bonds (distance) C4'-P energy: -162.691 bonds (distance) P-C4' energy: -160.572 flat angles C4'-P-C4' energy: -159.888 flat angles P-C4'-P energy: -91.822 tors. eta vs tors. theta energy: -117.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -1727.278337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.278337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.278337 (E_RNA) where: Base-Base interactions energy: -1064.015 where: short stacking energy: -482.415 Base-Backbone interact. energy: 1.972 local terms energy: -665.235470 where: bonds (distance) C4'-P energy: -141.956 bonds (distance) P-C4' energy: -153.414 flat angles C4'-P-C4' energy: -167.571 flat angles P-C4'-P energy: -112.011 tors. eta vs tors. theta energy: -90.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -1399.856991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.856991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.856991 (E_RNA) where: Base-Base interactions energy: -850.543 where: short stacking energy: -402.547 Base-Backbone interact. energy: 3.161 local terms energy: -552.475768 where: bonds (distance) C4'-P energy: -133.610 bonds (distance) P-C4' energy: -129.150 flat angles C4'-P-C4' energy: -153.803 flat angles P-C4'-P energy: -71.887 tors. eta vs tors. theta energy: -64.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -3303.701627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3303.701627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3303.701627 (E_RNA) where: Base-Base interactions energy: -2307.756 where: short stacking energy: -976.266 Base-Backbone interact. energy: -3.527 local terms energy: -992.418590 where: bonds (distance) C4'-P energy: -181.950 bonds (distance) P-C4' energy: -171.188 flat angles C4'-P-C4' energy: -212.761 flat angles P-C4'-P energy: -140.181 tors. eta vs tors. theta energy: -286.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -3101.417940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3101.417940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3101.417940 (E_RNA) where: Base-Base interactions energy: -2169.343 where: short stacking energy: -906.117 Base-Backbone interact. energy: -4.017 local terms energy: -928.058090 where: bonds (distance) C4'-P energy: -164.654 bonds (distance) P-C4' energy: -175.347 flat angles C4'-P-C4' energy: -192.905 flat angles P-C4'-P energy: -133.386 tors. eta vs tors. theta energy: -261.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -2990.365576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.365576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.365576 (E_RNA) where: Base-Base interactions energy: -2072.766 where: short stacking energy: -917.249 Base-Backbone interact. energy: -2.259 local terms energy: -915.340056 where: bonds (distance) C4'-P energy: -152.291 bonds (distance) P-C4' energy: -178.664 flat angles C4'-P-C4' energy: -180.842 flat angles P-C4'-P energy: -128.561 tors. eta vs tors. theta energy: -274.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -2792.081674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.081674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.081674 (E_RNA) where: Base-Base interactions energy: -1942.221 where: short stacking energy: -813.010 Base-Backbone interact. energy: -7.520 local terms energy: -842.340545 where: bonds (distance) C4'-P energy: -156.402 bonds (distance) P-C4' energy: -186.231 flat angles C4'-P-C4' energy: -175.855 flat angles P-C4'-P energy: -98.811 tors. eta vs tors. theta energy: -225.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -2709.978077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.978077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.978077 (E_RNA) where: Base-Base interactions energy: -1849.517 where: short stacking energy: -780.000 Base-Backbone interact. energy: -2.641 local terms energy: -857.820865 where: bonds (distance) C4'-P energy: -164.037 bonds (distance) P-C4' energy: -150.522 flat angles C4'-P-C4' energy: -179.799 flat angles P-C4'-P energy: -135.028 tors. eta vs tors. theta energy: -228.435 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: 269 Temperature: 1.150000 Total energy: -2495.773063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.773063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.773063 (E_RNA) where: Base-Base interactions energy: -1704.180 where: short stacking energy: -747.427 Base-Backbone interact. energy: 1.273 local terms energy: -792.865237 where: bonds (distance) C4'-P energy: -162.142 bonds (distance) P-C4' energy: -173.401 flat angles C4'-P-C4' energy: -159.232 flat angles P-C4'-P energy: -108.086 tors. eta vs tors. theta energy: -190.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -2238.219861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2238.219861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2238.219861 (E_RNA) where: Base-Base interactions energy: -1499.163 where: short stacking energy: -665.180 Base-Backbone interact. energy: -2.500 local terms energy: -736.556809 where: bonds (distance) C4'-P energy: -162.496 bonds (distance) P-C4' energy: -155.508 flat angles C4'-P-C4' energy: -167.641 flat angles P-C4'-P energy: -89.886 tors. eta vs tors. theta energy: -161.026 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: 8, replica: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1992.371832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.371832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.371832 (E_RNA) where: Base-Base interactions energy: -1343.311 where: short stacking energy: -575.585 Base-Backbone interact. energy: -0.554 local terms energy: -648.506633 where: bonds (distance) C4'-P energy: -142.878 bonds (distance) P-C4' energy: -139.456 flat angles C4'-P-C4' energy: -145.543 flat angles P-C4'-P energy: -107.554 tors. eta vs tors. theta energy: -113.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -1691.990093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.990093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.990093 (E_RNA) where: Base-Base interactions energy: -1099.609 where: short stacking energy: -501.824 Base-Backbone interact. energy: 3.962 local terms energy: -596.343355 where: bonds (distance) C4'-P energy: -119.409 bonds (distance) P-C4' energy: -147.494 flat angles C4'-P-C4' energy: -131.984 flat angles P-C4'-P energy: -102.654 tors. eta vs tors. theta energy: -94.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -1470.700510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.700510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.700510 (E_RNA) where: Base-Base interactions energy: -903.416 where: short stacking energy: -422.043 Base-Backbone interact. energy: 1.254 local terms energy: -568.538185 where: bonds (distance) C4'-P energy: -144.806 bonds (distance) P-C4' energy: -148.862 flat angles C4'-P-C4' energy: -142.943 flat angles P-C4'-P energy: -70.834 tors. eta vs tors. theta energy: -61.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -3311.157702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3311.157702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3311.157702 (E_RNA) where: Base-Base interactions energy: -2279.802 where: short stacking energy: -988.793 Base-Backbone interact. energy: -3.169 local terms energy: -1028.186661 where: bonds (distance) C4'-P energy: -182.410 bonds (distance) P-C4' energy: -183.427 flat angles C4'-P-C4' energy: -212.559 flat angles P-C4'-P energy: -152.113 tors. eta vs tors. theta energy: -297.677 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: 7 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -3086.752555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.752555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.752555 (E_RNA) where: Base-Base interactions energy: -2164.401 where: short stacking energy: -927.552 Base-Backbone interact. energy: -6.676 local terms energy: -915.675427 where: bonds (distance) C4'-P energy: -153.745 bonds (distance) P-C4' energy: -171.196 flat angles C4'-P-C4' energy: -197.000 flat angles P-C4'-P energy: -131.602 tors. eta vs tors. theta energy: -262.132 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: 270 Temperature: 1.000000 Total energy: -2959.084606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.084606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.084606 (E_RNA) where: Base-Base interactions energy: -2043.614 where: short stacking energy: -881.209 Base-Backbone interact. energy: -3.317 local terms energy: -912.153415 where: bonds (distance) C4'-P energy: -170.557 bonds (distance) P-C4' energy: -179.460 flat angles C4'-P-C4' energy: -185.920 flat angles P-C4'-P energy: -127.456 tors. eta vs tors. theta energy: -248.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -2787.294210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.294210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.294210 (E_RNA) where: Base-Base interactions energy: -1902.047 where: short stacking energy: -806.644 Base-Backbone interact. energy: -1.648 local terms energy: -883.598398 where: bonds (distance) C4'-P energy: -172.839 bonds (distance) P-C4' energy: -185.221 flat angles C4'-P-C4' energy: -188.727 flat angles P-C4'-P energy: -110.791 tors. eta vs tors. theta energy: -226.020 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: 4 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -2690.272937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2690.272937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2690.272937 (E_RNA) where: Base-Base interactions energy: -1841.458 where: short stacking energy: -803.439 Base-Backbone interact. energy: 5.104 local terms energy: -853.919793 where: bonds (distance) C4'-P energy: -156.334 bonds (distance) P-C4' energy: -167.440 flat angles C4'-P-C4' energy: -166.591 flat angles P-C4'-P energy: -118.462 tors. eta vs tors. theta energy: -245.092 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: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -2494.790937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.790937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.790937 (E_RNA) where: Base-Base interactions energy: -1716.344 where: short stacking energy: -723.183 Base-Backbone interact. energy: -1.492 local terms energy: -776.955671 where: bonds (distance) C4'-P energy: -155.218 bonds (distance) P-C4' energy: -162.028 flat angles C4'-P-C4' energy: -167.748 flat angles P-C4'-P energy: -101.341 tors. eta vs tors. theta energy: -190.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -2301.032763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.032763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.032763 (E_RNA) where: Base-Base interactions energy: -1517.682 where: short stacking energy: -679.236 Base-Backbone interact. energy: -4.776 local terms energy: -778.575350 where: bonds (distance) C4'-P energy: -156.772 bonds (distance) P-C4' energy: -161.922 flat angles C4'-P-C4' energy: -157.786 flat angles P-C4'-P energy: -129.322 tors. eta vs tors. theta energy: -172.773 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: 8, replica: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1973.865301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1973.865301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1973.865301 (E_RNA) where: Base-Base interactions energy: -1308.496 where: short stacking energy: -575.922 Base-Backbone interact. energy: -3.084 local terms energy: -662.284844 where: bonds (distance) C4'-P energy: -136.841 bonds (distance) P-C4' energy: -142.381 flat angles C4'-P-C4' energy: -160.801 flat angles P-C4'-P energy: -95.042 tors. eta vs tors. theta energy: -127.220 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: 9 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -1651.815176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.815176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.815176 (E_RNA) where: Base-Base interactions energy: -1060.287 where: short stacking energy: -496.946 Base-Backbone interact. energy: 0.097 local terms energy: -591.625233 where: bonds (distance) C4'-P energy: -105.741 bonds (distance) P-C4' energy: -145.141 flat angles C4'-P-C4' energy: -137.266 flat angles P-C4'-P energy: -107.551 tors. eta vs tors. theta energy: -95.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -1479.146641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.146641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.146641 (E_RNA) where: Base-Base interactions energy: -940.857 where: short stacking energy: -420.008 Base-Backbone interact. energy: 3.207 local terms energy: -541.496671 where: bonds (distance) C4'-P energy: -151.403 bonds (distance) P-C4' energy: -150.062 flat angles C4'-P-C4' energy: -133.325 flat angles P-C4'-P energy: -73.835 tors. eta vs tors. theta energy: -32.871 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: 1, replica: 2 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -3300.079779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3300.079779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3300.079779 (E_RNA) where: Base-Base interactions energy: -2316.370 where: short stacking energy: -977.882 Base-Backbone interact. energy: -2.059 local terms energy: -981.650222 where: bonds (distance) C4'-P energy: -171.313 bonds (distance) P-C4' energy: -178.903 flat angles C4'-P-C4' energy: -194.400 flat angles P-C4'-P energy: -153.111 tors. eta vs tors. theta energy: -283.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -3102.897007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.897007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.897007 (E_RNA) where: Base-Base interactions energy: -2146.891 where: short stacking energy: -905.648 Base-Backbone interact. energy: -5.431 local terms energy: -950.575789 where: bonds (distance) C4'-P energy: -158.921 bonds (distance) P-C4' energy: -190.543 flat angles C4'-P-C4' energy: -205.395 flat angles P-C4'-P energy: -131.936 tors. eta vs tors. theta energy: -263.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -2969.596278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.596278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.596278 (E_RNA) where: Base-Base interactions energy: -2076.428 where: short stacking energy: -875.305 Base-Backbone interact. energy: -1.704 local terms energy: -891.464299 where: bonds (distance) C4'-P energy: -169.962 bonds (distance) P-C4' energy: -167.212 flat angles C4'-P-C4' energy: -194.857 flat angles P-C4'-P energy: -111.623 tors. eta vs tors. theta energy: -247.809 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: 4, replica: 8 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -2838.053270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.053270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.053270 (E_RNA) where: Base-Base interactions energy: -1949.823 where: short stacking energy: -862.636 Base-Backbone interact. energy: -3.989 local terms energy: -884.241565 where: bonds (distance) C4'-P energy: -170.985 bonds (distance) P-C4' energy: -162.735 flat angles C4'-P-C4' energy: -190.698 flat angles P-C4'-P energy: -125.279 tors. eta vs tors. theta energy: -234.545 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: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -2693.710321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.710321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.710321 (E_RNA) where: Base-Base interactions energy: -1833.063 where: short stacking energy: -786.113 Base-Backbone interact. energy: -1.588 local terms energy: -859.058778 where: bonds (distance) C4'-P energy: -156.474 bonds (distance) P-C4' energy: -148.812 flat angles C4'-P-C4' energy: -184.729 flat angles P-C4'-P energy: -133.409 tors. eta vs tors. theta energy: -235.636 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: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -2449.973269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2449.973269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2449.973269 (E_RNA) where: Base-Base interactions energy: -1650.366 where: short stacking energy: -715.514 Base-Backbone interact. energy: -4.383 local terms energy: -795.224637 where: bonds (distance) C4'-P energy: -164.168 bonds (distance) P-C4' energy: -162.409 flat angles C4'-P-C4' energy: -174.666 flat angles P-C4'-P energy: -113.698 tors. eta vs tors. theta energy: -180.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -2334.155231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.155231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.155231 (E_RNA) where: Base-Base interactions energy: -1585.792 where: short stacking energy: -719.053 Base-Backbone interact. energy: 0.979 local terms energy: -749.342100 where: bonds (distance) C4'-P energy: -132.512 bonds (distance) P-C4' energy: -159.827 flat angles C4'-P-C4' energy: -167.954 flat angles P-C4'-P energy: -106.866 tors. eta vs tors. theta energy: -182.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1907.858823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.858823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.858823 (E_RNA) where: Base-Base interactions energy: -1259.906 where: short stacking energy: -558.492 Base-Backbone interact. energy: -0.139 local terms energy: -647.814143 where: bonds (distance) C4'-P energy: -151.482 bonds (distance) P-C4' energy: -145.857 flat angles C4'-P-C4' energy: -144.802 flat angles P-C4'-P energy: -94.211 tors. eta vs tors. theta energy: -111.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -1636.678444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.678444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.678444 (E_RNA) where: Base-Base interactions energy: -1042.256 where: short stacking energy: -480.232 Base-Backbone interact. energy: -0.676 local terms energy: -593.746237 where: bonds (distance) C4'-P energy: -138.472 bonds (distance) P-C4' energy: -131.708 flat angles C4'-P-C4' energy: -143.881 flat angles P-C4'-P energy: -98.014 tors. eta vs tors. theta energy: -81.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -1433.159174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.159174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.159174 (E_RNA) where: Base-Base interactions energy: -870.488 where: short stacking energy: -409.220 Base-Backbone interact. energy: 0.755 local terms energy: -563.426216 where: bonds (distance) C4'-P energy: -148.408 bonds (distance) P-C4' energy: -149.666 flat angles C4'-P-C4' energy: -127.509 flat angles P-C4'-P energy: -80.127 tors. eta vs tors. theta energy: -57.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -3293.286525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3293.286525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3293.286525 (E_RNA) where: Base-Base interactions energy: -2311.241 where: short stacking energy: -952.358 Base-Backbone interact. energy: -5.964 local terms energy: -976.082298 where: bonds (distance) C4'-P energy: -160.368 bonds (distance) P-C4' energy: -178.438 flat angles C4'-P-C4' energy: -208.588 flat angles P-C4'-P energy: -141.618 tors. eta vs tors. theta energy: -287.071 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: 2, replica: 7 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -3108.875101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.875101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.875101 (E_RNA) where: Base-Base interactions energy: -2161.441 where: short stacking energy: -933.153 Base-Backbone interact. energy: -3.905 local terms energy: -943.529476 where: bonds (distance) C4'-P energy: -188.160 bonds (distance) P-C4' energy: -172.581 flat angles C4'-P-C4' energy: -194.046 flat angles P-C4'-P energy: -130.682 tors. eta vs tors. theta energy: -258.061 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: 1 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -2998.253483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2998.253483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2998.253483 (E_RNA) where: Base-Base interactions energy: -2079.877 where: short stacking energy: -892.129 Base-Backbone interact. energy: -3.802 local terms energy: -914.574252 where: bonds (distance) C4'-P energy: -174.174 bonds (distance) P-C4' energy: -153.213 flat angles C4'-P-C4' energy: -204.681 flat angles P-C4'-P energy: -132.171 tors. eta vs tors. theta energy: -250.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -2791.374810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.374810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.374810 (E_RNA) where: Base-Base interactions energy: -1924.043 where: short stacking energy: -788.904 Base-Backbone interact. energy: -3.782 local terms energy: -863.550586 where: bonds (distance) C4'-P energy: -150.821 bonds (distance) P-C4' energy: -165.949 flat angles C4'-P-C4' energy: -195.026 flat angles P-C4'-P energy: -120.717 tors. eta vs tors. theta energy: -231.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -2717.397959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.397959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.397959 (E_RNA) where: Base-Base interactions energy: -1872.457 where: short stacking energy: -794.265 Base-Backbone interact. energy: -3.256 local terms energy: -841.684643 where: bonds (distance) C4'-P energy: -166.992 bonds (distance) P-C4' energy: -132.355 flat angles C4'-P-C4' energy: -178.496 flat angles P-C4'-P energy: -116.002 tors. eta vs tors. theta energy: -247.840 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: 6 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -2438.778395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.778395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.778395 (E_RNA) where: Base-Base interactions energy: -1658.914 where: short stacking energy: -706.722 Base-Backbone interact. energy: 0.909 local terms energy: -780.772820 where: bonds (distance) C4'-P energy: -173.139 bonds (distance) P-C4' energy: -145.952 flat angles C4'-P-C4' energy: -159.021 flat angles P-C4'-P energy: -112.630 tors. eta vs tors. theta energy: -190.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -2332.942179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.942179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.942179 (E_RNA) where: Base-Base interactions energy: -1581.376 where: short stacking energy: -691.146 Base-Backbone interact. energy: 2.622 local terms energy: -754.188392 where: bonds (distance) C4'-P energy: -153.169 bonds (distance) P-C4' energy: -142.268 flat angles C4'-P-C4' energy: -160.407 flat angles P-C4'-P energy: -112.190 tors. eta vs tors. theta energy: -186.155 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: 10 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1938.997403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1938.997403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1938.997403 (E_RNA) where: Base-Base interactions energy: -1301.207 where: short stacking energy: -578.942 Base-Backbone interact. energy: -0.400 local terms energy: -637.390708 where: bonds (distance) C4'-P energy: -123.782 bonds (distance) P-C4' energy: -144.286 flat angles C4'-P-C4' energy: -159.657 flat angles P-C4'-P energy: -101.152 tors. eta vs tors. theta energy: -108.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -1620.860209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.860209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.860209 (E_RNA) where: Base-Base interactions energy: -1010.312 where: short stacking energy: -482.731 Base-Backbone interact. energy: 2.822 local terms energy: -613.370036 where: bonds (distance) C4'-P energy: -122.888 bonds (distance) P-C4' energy: -158.423 flat angles C4'-P-C4' energy: -154.200 flat angles P-C4'-P energy: -92.100 tors. eta vs tors. theta energy: -85.758 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: 5 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -1389.835704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.835704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.835704 (E_RNA) where: Base-Base interactions energy: -852.702 where: short stacking energy: -426.795 Base-Backbone interact. energy: -4.448 local terms energy: -532.686383 where: bonds (distance) C4'-P energy: -154.847 bonds (distance) P-C4' energy: -135.225 flat angles C4'-P-C4' energy: -124.902 flat angles P-C4'-P energy: -65.916 tors. eta vs tors. theta energy: -51.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -3294.112847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.112847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.112847 (E_RNA) where: Base-Base interactions energy: -2282.356 where: short stacking energy: -969.937 Base-Backbone interact. energy: -3.318 local terms energy: -1008.438574 where: bonds (distance) C4'-P energy: -178.418 bonds (distance) P-C4' energy: -184.354 flat angles C4'-P-C4' energy: -205.944 flat angles P-C4'-P energy: -144.539 tors. eta vs tors. theta energy: -295.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -3081.845189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.845189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.845189 (E_RNA) where: Base-Base interactions energy: -2152.835 where: short stacking energy: -911.530 Base-Backbone interact. energy: -5.394 local terms energy: -923.615616 where: bonds (distance) C4'-P energy: -158.414 bonds (distance) P-C4' energy: -163.663 flat angles C4'-P-C4' energy: -208.505 flat angles P-C4'-P energy: -140.340 tors. eta vs tors. theta energy: -252.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -2987.384659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.384659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.384659 (E_RNA) where: Base-Base interactions energy: -2045.842 where: short stacking energy: -907.266 Base-Backbone interact. energy: -4.799 local terms energy: -936.744003 where: bonds (distance) C4'-P energy: -167.418 bonds (distance) P-C4' energy: -169.528 flat angles C4'-P-C4' energy: -201.670 flat angles P-C4'-P energy: -131.192 tors. eta vs tors. theta energy: -266.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -2772.334180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.334180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.334180 (E_RNA) where: Base-Base interactions energy: -1923.395 where: short stacking energy: -792.830 Base-Backbone interact. energy: -0.641 local terms energy: -848.298057 where: bonds (distance) C4'-P energy: -162.942 bonds (distance) P-C4' energy: -170.422 flat angles C4'-P-C4' energy: -181.728 flat angles P-C4'-P energy: -101.142 tors. eta vs tors. theta energy: -232.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -2717.939006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.939006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.939006 (E_RNA) where: Base-Base interactions energy: -1861.216 where: short stacking energy: -821.808 Base-Backbone interact. energy: 3.382 local terms energy: -860.105204 where: bonds (distance) C4'-P energy: -164.387 bonds (distance) P-C4' energy: -155.716 flat angles C4'-P-C4' energy: -184.895 flat angles P-C4'-P energy: -118.970 tors. eta vs tors. theta energy: -236.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -2439.473922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.473922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.473922 (E_RNA) where: Base-Base interactions energy: -1679.572 where: short stacking energy: -740.785 Base-Backbone interact. energy: -4.059 local terms energy: -755.842718 where: bonds (distance) C4'-P energy: -140.708 bonds (distance) P-C4' energy: -136.968 flat angles C4'-P-C4' energy: -168.667 flat angles P-C4'-P energy: -116.322 tors. eta vs tors. theta energy: -193.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -2322.210614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2322.210614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2322.210614 (E_RNA) where: Base-Base interactions energy: -1587.236 where: short stacking energy: -683.338 Base-Backbone interact. energy: -1.684 local terms energy: -733.290368 where: bonds (distance) C4'-P energy: -145.001 bonds (distance) P-C4' energy: -151.211 flat angles C4'-P-C4' energy: -170.467 flat angles P-C4'-P energy: -104.745 tors. eta vs tors. theta energy: -161.867 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: 8, replica: 10 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1937.314505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1937.314505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1937.314505 (E_RNA) where: Base-Base interactions energy: -1257.218 where: short stacking energy: -547.841 Base-Backbone interact. energy: 0.398 local terms energy: -680.494089 where: bonds (distance) C4'-P energy: -159.993 bonds (distance) P-C4' energy: -147.881 flat angles C4'-P-C4' energy: -167.963 flat angles P-C4'-P energy: -89.691 tors. eta vs tors. theta energy: -114.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -1670.159633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.159633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.159633 (E_RNA) where: Base-Base interactions energy: -1056.495 where: short stacking energy: -466.540 Base-Backbone interact. energy: 4.650 local terms energy: -618.314483 where: bonds (distance) C4'-P energy: -145.725 bonds (distance) P-C4' energy: -144.078 flat angles C4'-P-C4' energy: -147.762 flat angles P-C4'-P energy: -100.992 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: 10, replica: 5 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -1426.677073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.677073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.677073 (E_RNA) where: Base-Base interactions energy: -855.648 where: short stacking energy: -390.206 Base-Backbone interact. energy: -2.409 local terms energy: -568.619285 where: bonds (distance) C4'-P energy: -140.027 bonds (distance) P-C4' energy: -143.349 flat angles C4'-P-C4' energy: -136.833 flat angles P-C4'-P energy: -92.595 tors. eta vs tors. theta energy: -55.816 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: 2 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -3281.616187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3281.616187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3281.616187 (E_RNA) where: Base-Base interactions energy: -2305.646 where: short stacking energy: -960.166 Base-Backbone interact. energy: -4.888 local terms energy: -971.081976 where: bonds (distance) C4'-P energy: -169.738 bonds (distance) P-C4' energy: -172.171 flat angles C4'-P-C4' energy: -210.712 flat angles P-C4'-P energy: -136.960 tors. eta vs tors. theta energy: -281.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -3102.617450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3102.617450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3102.617450 (E_RNA) where: Base-Base interactions energy: -2141.010 where: short stacking energy: -906.895 Base-Backbone interact. energy: -1.662 local terms energy: -959.945196 where: bonds (distance) C4'-P energy: -168.673 bonds (distance) P-C4' energy: -183.638 flat angles C4'-P-C4' energy: -204.175 flat angles P-C4'-P energy: -153.626 tors. eta vs tors. theta energy: -249.833 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: 3, replica: 1 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -3005.219810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3005.219810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3005.219810 (E_RNA) where: Base-Base interactions energy: -2060.194 where: short stacking energy: -885.918 Base-Backbone interact. energy: -3.535 local terms energy: -941.490661 where: bonds (distance) C4'-P energy: -178.391 bonds (distance) P-C4' energy: -169.247 flat angles C4'-P-C4' energy: -196.983 flat angles P-C4'-P energy: -126.588 tors. eta vs tors. theta energy: -270.281 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: 8 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -2768.009610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2768.009610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2768.009610 (E_RNA) where: Base-Base interactions energy: -1888.106 where: short stacking energy: -796.376 Base-Backbone interact. energy: -1.833 local terms energy: -878.071094 where: bonds (distance) C4'-P energy: -171.924 bonds (distance) P-C4' energy: -164.428 flat angles C4'-P-C4' energy: -191.383 flat angles P-C4'-P energy: -118.561 tors. eta vs tors. theta energy: -231.776 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: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -2642.589404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2642.589404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2642.589404 (E_RNA) where: Base-Base interactions energy: -1797.664 where: short stacking energy: -784.828 Base-Backbone interact. energy: -2.243 local terms energy: -842.682734 where: bonds (distance) C4'-P energy: -155.240 bonds (distance) P-C4' energy: -146.863 flat angles C4'-P-C4' energy: -188.443 flat angles P-C4'-P energy: -125.646 tors. eta vs tors. theta energy: -226.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -2444.172050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2444.172050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2444.172050 (E_RNA) where: Base-Base interactions energy: -1662.845 where: short stacking energy: -721.992 Base-Backbone interact. energy: -3.663 local terms energy: -777.664332 where: bonds (distance) C4'-P energy: -125.534 bonds (distance) P-C4' energy: -157.841 flat angles C4'-P-C4' energy: -181.977 flat angles P-C4'-P energy: -113.849 tors. eta vs tors. theta energy: -198.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -2339.892768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.892768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.892768 (E_RNA) where: Base-Base interactions energy: -1541.751 where: short stacking energy: -666.012 Base-Backbone interact. energy: -2.910 local terms energy: -795.231582 where: bonds (distance) C4'-P energy: -161.071 bonds (distance) P-C4' energy: -164.398 flat angles C4'-P-C4' energy: -179.647 flat angles P-C4'-P energy: -108.286 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: 8, replica: 10 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1942.490148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1942.490148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1942.490148 (E_RNA) where: Base-Base interactions energy: -1290.135 where: short stacking energy: -579.681 Base-Backbone interact. energy: -1.309 local terms energy: -651.046417 where: bonds (distance) C4'-P energy: -138.780 bonds (distance) P-C4' energy: -135.084 flat angles C4'-P-C4' energy: -156.619 flat angles P-C4'-P energy: -93.700 tors. eta vs tors. theta energy: -126.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -1697.285478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.285478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.285478 (E_RNA) where: Base-Base interactions energy: -1097.227 where: short stacking energy: -477.659 Base-Backbone interact. energy: 0.655 local terms energy: -600.713383 where: bonds (distance) C4'-P energy: -140.325 bonds (distance) P-C4' energy: -156.970 flat angles C4'-P-C4' energy: -133.570 flat angles P-C4'-P energy: -77.549 tors. eta vs tors. theta energy: -92.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -1522.232812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.232812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.232812 (E_RNA) where: Base-Base interactions energy: -977.059 where: short stacking energy: -435.528 Base-Backbone interact. energy: -3.198 local terms energy: -541.975396 where: bonds (distance) C4'-P energy: -144.584 bonds (distance) P-C4' energy: -158.620 flat angles C4'-P-C4' energy: -100.402 flat angles P-C4'-P energy: -81.003 tors. eta vs tors. theta energy: -57.367 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: 2 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -3247.493065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.493065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.493065 (E_RNA) where: Base-Base interactions energy: -2256.801 where: short stacking energy: -947.842 Base-Backbone interact. energy: -2.188 local terms energy: -988.504170 where: bonds (distance) C4'-P energy: -178.405 bonds (distance) P-C4' energy: -184.523 flat angles C4'-P-C4' energy: -208.109 flat angles P-C4'-P energy: -135.721 tors. eta vs tors. theta energy: -281.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -3107.565375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.565375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.565375 (E_RNA) where: Base-Base interactions energy: -2162.962 where: short stacking energy: -903.578 Base-Backbone interact. energy: 1.735 local terms energy: -946.338621 where: bonds (distance) C4'-P energy: -171.341 bonds (distance) P-C4' energy: -176.595 flat angles C4'-P-C4' energy: -198.293 flat angles P-C4'-P energy: -131.092 tors. eta vs tors. theta energy: -269.018 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: 275 Temperature: 1.000000 Total energy: -2974.784169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.784169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.784169 (E_RNA) where: Base-Base interactions energy: -2058.607 where: short stacking energy: -881.228 Base-Backbone interact. energy: -3.508 local terms energy: -912.669478 where: bonds (distance) C4'-P energy: -173.071 bonds (distance) P-C4' energy: -165.884 flat angles C4'-P-C4' energy: -188.192 flat angles P-C4'-P energy: -126.011 tors. eta vs tors. theta energy: -259.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -2775.576712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.576712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.576712 (E_RNA) where: Base-Base interactions energy: -1898.444 where: short stacking energy: -836.325 Base-Backbone interact. energy: 1.247 local terms energy: -878.379628 where: bonds (distance) C4'-P energy: -153.703 bonds (distance) P-C4' energy: -177.996 flat angles C4'-P-C4' energy: -182.760 flat angles P-C4'-P energy: -129.597 tors. eta vs tors. theta energy: -234.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -2693.343664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.343664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.343664 (E_RNA) where: Base-Base interactions energy: -1857.688 where: short stacking energy: -801.700 Base-Backbone interact. energy: -1.954 local terms energy: -833.701603 where: bonds (distance) C4'-P energy: -132.036 bonds (distance) P-C4' energy: -166.546 flat angles C4'-P-C4' energy: -178.222 flat angles P-C4'-P energy: -134.696 tors. eta vs tors. theta energy: -222.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -2517.700124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.700124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.700124 (E_RNA) where: Base-Base interactions energy: -1711.424 where: short stacking energy: -747.360 Base-Backbone interact. energy: -3.332 local terms energy: -802.944169 where: bonds (distance) C4'-P energy: -161.400 bonds (distance) P-C4' energy: -154.520 flat angles C4'-P-C4' energy: -197.299 flat angles P-C4'-P energy: -94.103 tors. eta vs tors. theta energy: -195.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -2368.691203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.691203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.691203 (E_RNA) where: Base-Base interactions energy: -1622.659 where: short stacking energy: -735.166 Base-Backbone interact. energy: -2.220 local terms energy: -743.811737 where: bonds (distance) C4'-P energy: -133.945 bonds (distance) P-C4' energy: -138.742 flat angles C4'-P-C4' energy: -177.287 flat angles P-C4'-P energy: -105.805 tors. eta vs tors. theta energy: -188.032 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: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1935.238389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.238389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.238389 (E_RNA) where: Base-Base interactions energy: -1283.286 where: short stacking energy: -565.794 Base-Backbone interact. energy: 1.307 local terms energy: -653.258963 where: bonds (distance) C4'-P energy: -132.229 bonds (distance) P-C4' energy: -149.749 flat angles C4'-P-C4' energy: -147.475 flat angles P-C4'-P energy: -108.474 tors. eta vs tors. theta energy: -115.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -1674.093612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.093612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.093612 (E_RNA) where: Base-Base interactions energy: -1059.511 where: short stacking energy: -468.552 Base-Backbone interact. energy: 0.023 local terms energy: -614.605260 where: bonds (distance) C4'-P energy: -129.714 bonds (distance) P-C4' energy: -142.964 flat angles C4'-P-C4' energy: -156.008 flat angles P-C4'-P energy: -96.254 tors. eta vs tors. theta energy: -89.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -1505.319761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.319761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.319761 (E_RNA) where: Base-Base interactions energy: -977.995 where: short stacking energy: -434.567 Base-Backbone interact. energy: 2.637 local terms energy: -529.961013 where: bonds (distance) C4'-P energy: -145.061 bonds (distance) P-C4' energy: -123.829 flat angles C4'-P-C4' energy: -137.636 flat angles P-C4'-P energy: -73.936 tors. eta vs tors. theta energy: -49.500 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: 2 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -3267.860474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3267.860474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3267.860474 (E_RNA) where: Base-Base interactions energy: -2296.945 where: short stacking energy: -957.421 Base-Backbone interact. energy: -1.455 local terms energy: -969.460745 where: bonds (distance) C4'-P energy: -176.479 bonds (distance) P-C4' energy: -168.378 flat angles C4'-P-C4' energy: -197.518 flat angles P-C4'-P energy: -155.894 tors. eta vs tors. theta energy: -271.192 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: 7 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -3052.095741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.095741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.095741 (E_RNA) where: Base-Base interactions energy: -2124.907 where: short stacking energy: -853.252 Base-Backbone interact. energy: -3.134 local terms energy: -924.055454 where: bonds (distance) C4'-P energy: -164.173 bonds (distance) P-C4' energy: -165.721 flat angles C4'-P-C4' energy: -203.633 flat angles P-C4'-P energy: -140.138 tors. eta vs tors. theta energy: -250.391 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: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -2973.453987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.453987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.453987 (E_RNA) where: Base-Base interactions energy: -2044.624 where: short stacking energy: -887.210 Base-Backbone interact. energy: -1.524 local terms energy: -927.305989 where: bonds (distance) C4'-P energy: -162.743 bonds (distance) P-C4' energy: -181.252 flat angles C4'-P-C4' energy: -196.014 flat angles P-C4'-P energy: -136.435 tors. eta vs tors. theta energy: -250.861 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: 4, replica: 8 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -2808.580814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.580814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.580814 (E_RNA) where: Base-Base interactions energy: -1924.016 where: short stacking energy: -820.988 Base-Backbone interact. energy: 1.498 local terms energy: -886.062932 where: bonds (distance) C4'-P energy: -170.113 bonds (distance) P-C4' energy: -166.416 flat angles C4'-P-C4' energy: -192.484 flat angles P-C4'-P energy: -118.587 tors. eta vs tors. theta energy: -238.462 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: 4 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -2686.321469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.321469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.321469 (E_RNA) where: Base-Base interactions energy: -1880.135 where: short stacking energy: -817.810 Base-Backbone interact. energy: -2.801 local terms energy: -803.385430 where: bonds (distance) C4'-P energy: -152.648 bonds (distance) P-C4' energy: -154.583 flat angles C4'-P-C4' energy: -162.288 flat angles P-C4'-P energy: -124.707 tors. eta vs tors. theta energy: -209.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -2494.700787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.700787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.700787 (E_RNA) where: Base-Base interactions energy: -1723.409 where: short stacking energy: -735.856 Base-Backbone interact. energy: -2.132 local terms energy: -769.159277 where: bonds (distance) C4'-P energy: -142.921 bonds (distance) P-C4' energy: -151.541 flat angles C4'-P-C4' energy: -167.432 flat angles P-C4'-P energy: -102.129 tors. eta vs tors. theta energy: -205.136 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: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -2363.744885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.744885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.744885 (E_RNA) where: Base-Base interactions energy: -1611.632 where: short stacking energy: -706.045 Base-Backbone interact. energy: -1.633 local terms energy: -750.479434 where: bonds (distance) C4'-P energy: -156.070 bonds (distance) P-C4' energy: -164.313 flat angles C4'-P-C4' energy: -161.230 flat angles P-C4'-P energy: -96.576 tors. eta vs tors. theta energy: -172.291 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: 10 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1902.333099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.333099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.333099 (E_RNA) where: Base-Base interactions energy: -1237.638 where: short stacking energy: -535.714 Base-Backbone interact. energy: 5.441 local terms energy: -670.136673 where: bonds (distance) C4'-P energy: -167.947 bonds (distance) P-C4' energy: -127.852 flat angles C4'-P-C4' energy: -165.760 flat angles P-C4'-P energy: -101.644 tors. eta vs tors. theta energy: -106.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -1598.628595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.628595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.628595 (E_RNA) where: Base-Base interactions energy: -973.160 where: short stacking energy: -441.519 Base-Backbone interact. energy: 1.440 local terms energy: -626.908700 where: bonds (distance) C4'-P energy: -138.937 bonds (distance) P-C4' energy: -151.723 flat angles C4'-P-C4' energy: -171.808 flat angles P-C4'-P energy: -92.994 tors. eta vs tors. theta energy: -71.446 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: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -1508.055380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.055380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.055380 (E_RNA) where: Base-Base interactions energy: -948.716 where: short stacking energy: -450.545 Base-Backbone interact. energy: 3.508 local terms energy: -562.846815 where: bonds (distance) C4'-P energy: -145.961 bonds (distance) P-C4' energy: -131.220 flat angles C4'-P-C4' energy: -133.066 flat angles P-C4'-P energy: -84.277 tors. eta vs tors. theta energy: -68.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -3266.612360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3266.612360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3266.612360 (E_RNA) where: Base-Base interactions energy: -2303.283 where: short stacking energy: -954.967 Base-Backbone interact. energy: -1.567 local terms energy: -961.762066 where: bonds (distance) C4'-P energy: -175.886 bonds (distance) P-C4' energy: -181.211 flat angles C4'-P-C4' energy: -198.792 flat angles P-C4'-P energy: -129.630 tors. eta vs tors. theta energy: -276.243 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: 2, replica: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -3094.034389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.034389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.034389 (E_RNA) where: Base-Base interactions energy: -2138.853 where: short stacking energy: -889.447 Base-Backbone interact. energy: 0.621 local terms energy: -955.801816 where: bonds (distance) C4'-P energy: -171.695 bonds (distance) P-C4' energy: -185.661 flat angles C4'-P-C4' energy: -193.971 flat angles P-C4'-P energy: -140.422 tors. eta vs tors. theta energy: -264.053 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: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -2969.074761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.074761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.074761 (E_RNA) where: Base-Base interactions energy: -2086.677 where: short stacking energy: -884.111 Base-Backbone interact. energy: -4.007 local terms energy: -878.390764 where: bonds (distance) C4'-P energy: -167.081 bonds (distance) P-C4' energy: -155.487 flat angles C4'-P-C4' energy: -191.779 flat angles P-C4'-P energy: -117.046 tors. eta vs tors. theta energy: -246.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -2792.292516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.292516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.292516 (E_RNA) where: Base-Base interactions energy: -1921.831 where: short stacking energy: -821.552 Base-Backbone interact. energy: -3.196 local terms energy: -867.265994 where: bonds (distance) C4'-P energy: -170.635 bonds (distance) P-C4' energy: -157.286 flat angles C4'-P-C4' energy: -193.735 flat angles P-C4'-P energy: -116.006 tors. eta vs tors. theta energy: -229.604 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: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -2631.705299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.705299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.705299 (E_RNA) where: Base-Base interactions energy: -1816.605 where: short stacking energy: -759.942 Base-Backbone interact. energy: -2.358 local terms energy: -812.742915 where: bonds (distance) C4'-P energy: -136.381 bonds (distance) P-C4' energy: -153.608 flat angles C4'-P-C4' energy: -195.068 flat angles P-C4'-P energy: -127.729 tors. eta vs tors. theta energy: -199.957 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: 6 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -2497.850587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.850587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.850587 (E_RNA) where: Base-Base interactions energy: -1729.315 where: short stacking energy: -756.134 Base-Backbone interact. energy: -3.487 local terms energy: -765.048804 where: bonds (distance) C4'-P energy: -147.981 bonds (distance) P-C4' energy: -139.651 flat angles C4'-P-C4' energy: -166.786 flat angles P-C4'-P energy: -106.802 tors. eta vs tors. theta energy: -203.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -2368.426875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2368.426875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2368.426875 (E_RNA) where: Base-Base interactions energy: -1598.291 where: short stacking energy: -692.202 Base-Backbone interact. energy: -6.397 local terms energy: -763.738626 where: bonds (distance) C4'-P energy: -161.585 bonds (distance) P-C4' energy: -146.045 flat angles C4'-P-C4' energy: -163.960 flat angles P-C4'-P energy: -108.765 tors. eta vs tors. theta energy: -183.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1952.366595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1952.366595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1952.366595 (E_RNA) where: Base-Base interactions energy: -1289.236 where: short stacking energy: -587.793 Base-Backbone interact. energy: 1.887 local terms energy: -665.017174 where: bonds (distance) C4'-P energy: -130.871 bonds (distance) P-C4' energy: -141.117 flat angles C4'-P-C4' energy: -160.248 flat angles P-C4'-P energy: -98.493 tors. eta vs tors. theta energy: -134.289 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: 9 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -1582.537297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.537297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.537297 (E_RNA) where: Base-Base interactions energy: -962.521 where: short stacking energy: -462.130 Base-Backbone interact. energy: -3.469 local terms energy: -616.548101 where: bonds (distance) C4'-P energy: -164.261 bonds (distance) P-C4' energy: -158.496 flat angles C4'-P-C4' energy: -142.221 flat angles P-C4'-P energy: -71.571 tors. eta vs tors. theta energy: -79.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -1440.558559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.558559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.558559 (E_RNA) where: Base-Base interactions energy: -912.527 where: short stacking energy: -412.656 Base-Backbone interact. energy: -0.999 local terms energy: -527.032480 where: bonds (distance) C4'-P energy: -140.666 bonds (distance) P-C4' energy: -158.421 flat angles C4'-P-C4' energy: -123.605 flat angles P-C4'-P energy: -72.298 tors. eta vs tors. theta energy: -32.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -3269.062018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.062018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.062018 (E_RNA) where: Base-Base interactions energy: -2303.463 where: short stacking energy: -952.643 Base-Backbone interact. energy: -2.783 local terms energy: -962.816059 where: bonds (distance) C4'-P energy: -168.249 bonds (distance) P-C4' energy: -189.263 flat angles C4'-P-C4' energy: -199.270 flat angles P-C4'-P energy: -139.427 tors. eta vs tors. theta energy: -266.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -3099.766424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3099.766424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3099.766424 (E_RNA) where: Base-Base interactions energy: -2149.996 where: short stacking energy: -896.601 Base-Backbone interact. energy: -0.092 local terms energy: -949.677809 where: bonds (distance) C4'-P energy: -182.855 bonds (distance) P-C4' energy: -173.343 flat angles C4'-P-C4' energy: -206.702 flat angles P-C4'-P energy: -132.250 tors. eta vs tors. theta energy: -254.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -2990.397211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2990.397211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2990.397211 (E_RNA) where: Base-Base interactions energy: -2089.306 where: short stacking energy: -878.112 Base-Backbone interact. energy: -1.954 local terms energy: -899.136505 where: bonds (distance) C4'-P energy: -149.547 bonds (distance) P-C4' energy: -174.838 flat angles C4'-P-C4' energy: -190.482 flat angles P-C4'-P energy: -119.196 tors. eta vs tors. theta energy: -265.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -2771.647938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.647938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.647938 (E_RNA) where: Base-Base interactions energy: -1879.903 where: short stacking energy: -813.862 Base-Backbone interact. energy: -6.569 local terms energy: -885.176245 where: bonds (distance) C4'-P energy: -165.088 bonds (distance) P-C4' energy: -173.888 flat angles C4'-P-C4' energy: -189.177 flat angles P-C4'-P energy: -130.814 tors. eta vs tors. theta energy: -226.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -2609.637600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.637600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.637600 (E_RNA) where: Base-Base interactions energy: -1775.255 where: short stacking energy: -782.423 Base-Backbone interact. energy: 3.468 local terms energy: -837.850095 where: bonds (distance) C4'-P energy: -162.024 bonds (distance) P-C4' energy: -148.262 flat angles C4'-P-C4' energy: -195.404 flat angles P-C4'-P energy: -116.416 tors. eta vs tors. theta energy: -215.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -2609.494815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.494815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.494815 (E_RNA) where: Base-Base interactions energy: -1803.289 where: short stacking energy: -762.538 Base-Backbone interact. energy: -3.682 local terms energy: -802.523961 where: bonds (distance) C4'-P energy: -155.620 bonds (distance) P-C4' energy: -147.964 flat angles C4'-P-C4' energy: -172.362 flat angles P-C4'-P energy: -116.021 tors. eta vs tors. theta energy: -210.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -2266.015786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.015786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.015786 (E_RNA) where: Base-Base interactions energy: -1538.475 where: short stacking energy: -666.184 Base-Backbone interact. energy: -1.163 local terms energy: -726.377451 where: bonds (distance) C4'-P energy: -141.451 bonds (distance) P-C4' energy: -161.022 flat angles C4'-P-C4' energy: -162.770 flat angles P-C4'-P energy: -92.645 tors. eta vs tors. theta energy: -168.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1959.595363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.595363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.595363 (E_RNA) where: Base-Base interactions energy: -1286.347 where: short stacking energy: -563.381 Base-Backbone interact. energy: -2.434 local terms energy: -670.813677 where: bonds (distance) C4'-P energy: -148.376 bonds (distance) P-C4' energy: -162.604 flat angles C4'-P-C4' energy: -162.363 flat angles P-C4'-P energy: -100.060 tors. eta vs tors. theta energy: -97.410 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: 9 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -1609.969535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.969535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.969535 (E_RNA) where: Base-Base interactions energy: -1004.974 where: short stacking energy: -484.692 Base-Backbone interact. energy: 2.228 local terms energy: -607.223903 where: bonds (distance) C4'-P energy: -120.833 bonds (distance) P-C4' energy: -157.835 flat angles C4'-P-C4' energy: -157.968 flat angles P-C4'-P energy: -80.497 tors. eta vs tors. theta energy: -90.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -1415.405376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.405376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.405376 (E_RNA) where: Base-Base interactions energy: -911.096 where: short stacking energy: -396.635 Base-Backbone interact. energy: 1.008 local terms energy: -505.316923 where: bonds (distance) C4'-P energy: -124.718 bonds (distance) P-C4' energy: -131.665 flat angles C4'-P-C4' energy: -136.266 flat angles P-C4'-P energy: -76.845 tors. eta vs tors. theta energy: -35.822 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: 1, replica: 2 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -3280.752964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3280.752964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3280.752964 (E_RNA) where: Base-Base interactions energy: -2305.260 where: short stacking energy: -951.501 Base-Backbone interact. energy: -2.889 local terms energy: -972.604742 where: bonds (distance) C4'-P energy: -184.226 bonds (distance) P-C4' energy: -175.168 flat angles C4'-P-C4' energy: -200.424 flat angles P-C4'-P energy: -139.998 tors. eta vs tors. theta energy: -272.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -3134.918705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.918705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.918705 (E_RNA) where: Base-Base interactions energy: -2180.897 where: short stacking energy: -904.563 Base-Backbone interact. energy: -3.127 local terms energy: -950.894605 where: bonds (distance) C4'-P energy: -170.185 bonds (distance) P-C4' energy: -175.428 flat angles C4'-P-C4' energy: -190.227 flat angles P-C4'-P energy: -136.755 tors. eta vs tors. theta energy: -278.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -3018.185782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.185782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.185782 (E_RNA) where: Base-Base interactions energy: -2097.386 where: short stacking energy: -915.780 Base-Backbone interact. energy: -3.826 local terms energy: -916.973628 where: bonds (distance) C4'-P energy: -173.566 bonds (distance) P-C4' energy: -173.725 flat angles C4'-P-C4' energy: -183.104 flat angles P-C4'-P energy: -131.512 tors. eta vs tors. theta energy: -255.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -2839.527968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2839.527968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2839.527968 (E_RNA) where: Base-Base interactions energy: -1981.497 where: short stacking energy: -838.461 Base-Backbone interact. energy: 1.063 local terms energy: -859.094093 where: bonds (distance) C4'-P energy: -167.169 bonds (distance) P-C4' energy: -167.279 flat angles C4'-P-C4' energy: -177.344 flat angles P-C4'-P energy: -117.212 tors. eta vs tors. theta energy: -230.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -2638.042195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2638.042195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2638.042195 (E_RNA) where: Base-Base interactions energy: -1809.807 where: short stacking energy: -775.043 Base-Backbone interact. energy: -4.999 local terms energy: -823.236620 where: bonds (distance) C4'-P energy: -160.025 bonds (distance) P-C4' energy: -162.000 flat angles C4'-P-C4' energy: -182.010 flat angles P-C4'-P energy: -111.695 tors. eta vs tors. theta energy: -207.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -2528.764682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.764682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.764682 (E_RNA) where: Base-Base interactions energy: -1718.760 where: short stacking energy: -732.213 Base-Backbone interact. energy: -3.113 local terms energy: -806.891041 where: bonds (distance) C4'-P energy: -161.330 bonds (distance) P-C4' energy: -167.768 flat angles C4'-P-C4' energy: -190.709 flat angles P-C4'-P energy: -79.067 tors. eta vs tors. theta energy: -208.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -2288.936207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2288.936207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2288.936207 (E_RNA) where: Base-Base interactions energy: -1538.141 where: short stacking energy: -674.286 Base-Backbone interact. energy: 0.164 local terms energy: -750.959009 where: bonds (distance) C4'-P energy: -145.569 bonds (distance) P-C4' energy: -155.831 flat angles C4'-P-C4' energy: -168.870 flat angles P-C4'-P energy: -91.460 tors. eta vs tors. theta energy: -189.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -2044.128022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.128022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.128022 (E_RNA) where: Base-Base interactions energy: -1378.049 where: short stacking energy: -605.042 Base-Backbone interact. energy: 2.473 local terms energy: -668.551780 where: bonds (distance) C4'-P energy: -117.888 bonds (distance) P-C4' energy: -147.365 flat angles C4'-P-C4' energy: -155.203 flat angles P-C4'-P energy: -110.477 tors. eta vs tors. theta energy: -137.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -1655.553843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.553843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.553843 (E_RNA) where: Base-Base interactions energy: -1092.268 where: short stacking energy: -493.486 Base-Backbone interact. energy: 2.266 local terms energy: -565.551140 where: bonds (distance) C4'-P energy: -125.383 bonds (distance) P-C4' energy: -123.816 flat angles C4'-P-C4' energy: -147.692 flat angles P-C4'-P energy: -73.358 tors. eta vs tors. theta energy: -95.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -1358.370391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.370391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.370391 (E_RNA) where: Base-Base interactions energy: -837.131 where: short stacking energy: -371.980 Base-Backbone interact. energy: -4.324 local terms energy: -516.915908 where: bonds (distance) C4'-P energy: -135.639 bonds (distance) P-C4' energy: -134.762 flat angles C4'-P-C4' energy: -145.642 flat angles P-C4'-P energy: -74.567 tors. eta vs tors. theta energy: -26.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -3295.268784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3295.268784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3295.268784 (E_RNA) where: Base-Base interactions energy: -2334.288 where: short stacking energy: -979.731 Base-Backbone interact. energy: -3.005 local terms energy: -957.975129 where: bonds (distance) C4'-P energy: -163.544 bonds (distance) P-C4' energy: -175.808 flat angles C4'-P-C4' energy: -213.554 flat angles P-C4'-P energy: -134.438 tors. eta vs tors. theta energy: -270.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -3119.632968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.632968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.632968 (E_RNA) where: Base-Base interactions energy: -2176.011 where: short stacking energy: -898.635 Base-Backbone interact. energy: -0.861 local terms energy: -942.761037 where: bonds (distance) C4'-P energy: -167.110 bonds (distance) P-C4' energy: -172.092 flat angles C4'-P-C4' energy: -207.899 flat angles P-C4'-P energy: -132.042 tors. eta vs tors. theta energy: -263.617 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: 1 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -3029.769090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.769090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.769090 (E_RNA) where: Base-Base interactions energy: -2089.145 where: short stacking energy: -909.157 Base-Backbone interact. energy: -2.225 local terms energy: -938.398648 where: bonds (distance) C4'-P energy: -168.119 bonds (distance) P-C4' energy: -163.417 flat angles C4'-P-C4' energy: -203.238 flat angles P-C4'-P energy: -135.562 tors. eta vs tors. theta energy: -268.062 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: 8 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -2847.268047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.268047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.268047 (E_RNA) where: Base-Base interactions energy: -1948.133 where: short stacking energy: -851.866 Base-Backbone interact. energy: -3.159 local terms energy: -895.975563 where: bonds (distance) C4'-P energy: -165.926 bonds (distance) P-C4' energy: -182.371 flat angles C4'-P-C4' energy: -190.972 flat angles P-C4'-P energy: -116.708 tors. eta vs tors. theta energy: -239.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -2656.324263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2656.324263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2656.324263 (E_RNA) where: Base-Base interactions energy: -1838.108 where: short stacking energy: -787.220 Base-Backbone interact. energy: -0.916 local terms energy: -817.300173 where: bonds (distance) C4'-P energy: -152.914 bonds (distance) P-C4' energy: -160.126 flat angles C4'-P-C4' energy: -183.638 flat angles P-C4'-P energy: -105.758 tors. eta vs tors. theta energy: -214.864 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: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -2571.275458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.275458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.275458 (E_RNA) where: Base-Base interactions energy: -1753.142 where: short stacking energy: -722.245 Base-Backbone interact. energy: 3.723 local terms energy: -821.856617 where: bonds (distance) C4'-P energy: -151.500 bonds (distance) P-C4' energy: -170.504 flat angles C4'-P-C4' energy: -178.610 flat angles P-C4'-P energy: -123.597 tors. eta vs tors. theta energy: -197.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -2266.497987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2266.497987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2266.497987 (E_RNA) where: Base-Base interactions energy: -1526.405 where: short stacking energy: -689.821 Base-Backbone interact. energy: -0.669 local terms energy: -739.423208 where: bonds (distance) C4'-P energy: -161.507 bonds (distance) P-C4' energy: -152.937 flat angles C4'-P-C4' energy: -160.184 flat angles P-C4'-P energy: -89.689 tors. eta vs tors. theta energy: -175.106 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: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -2022.354883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.354883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.354883 (E_RNA) where: Base-Base interactions energy: -1358.418 where: short stacking energy: -579.868 Base-Backbone interact. energy: 0.167 local terms energy: -664.103061 where: bonds (distance) C4'-P energy: -137.488 bonds (distance) P-C4' energy: -151.289 flat angles C4'-P-C4' energy: -149.569 flat angles P-C4'-P energy: -108.018 tors. eta vs tors. theta energy: -117.739 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: 9, replica: 9 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -1547.521531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.521531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.521531 (E_RNA) where: Base-Base interactions energy: -938.521 where: short stacking energy: -442.609 Base-Backbone interact. energy: 3.873 local terms energy: -612.874234 where: bonds (distance) C4'-P energy: -142.063 bonds (distance) P-C4' energy: -147.586 flat angles C4'-P-C4' energy: -141.300 flat angles P-C4'-P energy: -114.554 tors. eta vs tors. theta energy: -67.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -1226.475136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.475136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.475136 (E_RNA) where: Base-Base interactions energy: -751.422 where: short stacking energy: -338.410 Base-Backbone interact. energy: 3.167 local terms energy: -478.219488 where: bonds (distance) C4'-P energy: -141.702 bonds (distance) P-C4' energy: -145.586 flat angles C4'-P-C4' energy: -131.748 flat angles P-C4'-P energy: -63.316 tors. eta vs tors. theta energy: 4.132 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: 2 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -3293.075310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3293.075310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3293.075310 (E_RNA) where: Base-Base interactions energy: -2313.740 where: short stacking energy: -965.694 Base-Backbone interact. energy: -2.933 local terms energy: -976.402588 where: bonds (distance) C4'-P energy: -171.631 bonds (distance) P-C4' energy: -174.863 flat angles C4'-P-C4' energy: -211.338 flat angles P-C4'-P energy: -144.370 tors. eta vs tors. theta energy: -274.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -3108.466868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.466868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.466868 (E_RNA) where: Base-Base interactions energy: -2182.209 where: short stacking energy: -917.823 Base-Backbone interact. energy: -1.204 local terms energy: -925.053640 where: bonds (distance) C4'-P energy: -176.496 bonds (distance) P-C4' energy: -170.153 flat angles C4'-P-C4' energy: -188.311 flat angles P-C4'-P energy: -125.036 tors. eta vs tors. theta energy: -265.058 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: 3, replica: 1 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -3008.903622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3008.903622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3008.903622 (E_RNA) where: Base-Base interactions energy: -2092.397 where: short stacking energy: -900.015 Base-Backbone interact. energy: -2.831 local terms energy: -913.674913 where: bonds (distance) C4'-P energy: -143.471 bonds (distance) P-C4' energy: -171.426 flat angles C4'-P-C4' energy: -198.590 flat angles P-C4'-P energy: -122.125 tors. eta vs tors. theta energy: -278.062 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: 8 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -2880.328393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.328393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.328393 (E_RNA) where: Base-Base interactions energy: -1979.986 where: short stacking energy: -852.591 Base-Backbone interact. energy: 0.652 local terms energy: -900.994262 where: bonds (distance) C4'-P energy: -176.035 bonds (distance) P-C4' energy: -171.874 flat angles C4'-P-C4' energy: -184.650 flat angles P-C4'-P energy: -119.755 tors. eta vs tors. theta energy: -248.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -2625.648377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.648377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.648377 (E_RNA) where: Base-Base interactions energy: -1805.685 where: short stacking energy: -810.239 Base-Backbone interact. energy: -0.146 local terms energy: -819.817489 where: bonds (distance) C4'-P energy: -161.406 bonds (distance) P-C4' energy: -135.856 flat angles C4'-P-C4' energy: -199.027 flat angles P-C4'-P energy: -115.307 tors. eta vs tors. theta energy: -208.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -2564.859979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.859979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.859979 (E_RNA) where: Base-Base interactions energy: -1764.838 where: short stacking energy: -769.878 Base-Backbone interact. energy: 2.345 local terms energy: -802.366594 where: bonds (distance) C4'-P energy: -154.985 bonds (distance) P-C4' energy: -158.559 flat angles C4'-P-C4' energy: -169.698 flat angles P-C4'-P energy: -100.848 tors. eta vs tors. theta energy: -218.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -2350.435758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.435758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.435758 (E_RNA) where: Base-Base interactions energy: -1584.573 where: short stacking energy: -701.585 Base-Backbone interact. energy: 0.392 local terms energy: -766.254574 where: bonds (distance) C4'-P energy: -148.206 bonds (distance) P-C4' energy: -165.406 flat angles C4'-P-C4' energy: -170.161 flat angles P-C4'-P energy: -112.497 tors. eta vs tors. theta energy: -169.985 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: 8, replica: 10 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -2113.197417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2113.197417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2113.197417 (E_RNA) where: Base-Base interactions energy: -1431.836 where: short stacking energy: -607.804 Base-Backbone interact. energy: 2.242 local terms energy: -683.602775 where: bonds (distance) C4'-P energy: -133.383 bonds (distance) P-C4' energy: -177.663 flat angles C4'-P-C4' energy: -155.223 flat angles P-C4'-P energy: -78.373 tors. eta vs tors. theta energy: -138.961 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: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -1629.297123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.297123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.297123 (E_RNA) where: Base-Base interactions energy: -1017.635 where: short stacking energy: -468.507 Base-Backbone interact. energy: -1.719 local terms energy: -609.943363 where: bonds (distance) C4'-P energy: -145.392 bonds (distance) P-C4' energy: -149.821 flat angles C4'-P-C4' energy: -133.914 flat angles P-C4'-P energy: -90.948 tors. eta vs tors. theta energy: -89.868 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: 5 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -1359.811735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.811735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.811735 (E_RNA) where: Base-Base interactions energy: -801.181 where: short stacking energy: -402.956 Base-Backbone interact. energy: -1.934 local terms energy: -556.696834 where: bonds (distance) C4'-P energy: -141.789 bonds (distance) P-C4' energy: -166.335 flat angles C4'-P-C4' energy: -132.652 flat angles P-C4'-P energy: -72.550 tors. eta vs tors. theta energy: -43.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -3312.155088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.155088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.155088 (E_RNA) where: Base-Base interactions energy: -2334.986 where: short stacking energy: -961.968 Base-Backbone interact. energy: -6.206 local terms energy: -970.962541 where: bonds (distance) C4'-P energy: -179.483 bonds (distance) P-C4' energy: -172.764 flat angles C4'-P-C4' energy: -203.591 flat angles P-C4'-P energy: -137.824 tors. eta vs tors. theta energy: -277.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -3120.956841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.956841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.956841 (E_RNA) where: Base-Base interactions energy: -2160.666 where: short stacking energy: -933.741 Base-Backbone interact. energy: 6.649 local terms energy: -966.939075 where: bonds (distance) C4'-P energy: -176.497 bonds (distance) P-C4' energy: -171.514 flat angles C4'-P-C4' energy: -210.711 flat angles P-C4'-P energy: -131.204 tors. eta vs tors. theta energy: -277.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -3018.880501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.880501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.880501 (E_RNA) where: Base-Base interactions energy: -2104.192 where: short stacking energy: -873.923 Base-Backbone interact. energy: -0.943 local terms energy: -913.744690 where: bonds (distance) C4'-P energy: -160.804 bonds (distance) P-C4' energy: -177.693 flat angles C4'-P-C4' energy: -188.252 flat angles P-C4'-P energy: -122.394 tors. eta vs tors. theta energy: -264.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -2858.316574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.316574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.316574 (E_RNA) where: Base-Base interactions energy: -1978.518 where: short stacking energy: -824.504 Base-Backbone interact. energy: -2.974 local terms energy: -876.825322 where: bonds (distance) C4'-P energy: -162.812 bonds (distance) P-C4' energy: -168.119 flat angles C4'-P-C4' energy: -190.644 flat angles P-C4'-P energy: -121.413 tors. eta vs tors. theta energy: -233.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -2655.871920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.871920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.871920 (E_RNA) where: Base-Base interactions energy: -1803.083 where: short stacking energy: -787.928 Base-Backbone interact. energy: -1.097 local terms energy: -851.691887 where: bonds (distance) C4'-P energy: -149.683 bonds (distance) P-C4' energy: -162.374 flat angles C4'-P-C4' energy: -195.371 flat angles P-C4'-P energy: -126.818 tors. eta vs tors. theta energy: -217.445 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: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -2507.227752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.227752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.227752 (E_RNA) where: Base-Base interactions energy: -1710.170 where: short stacking energy: -741.613 Base-Backbone interact. energy: -0.303 local terms energy: -796.755358 where: bonds (distance) C4'-P energy: -147.212 bonds (distance) P-C4' energy: -165.474 flat angles C4'-P-C4' energy: -189.039 flat angles P-C4'-P energy: -95.371 tors. eta vs tors. theta energy: -199.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -2387.740943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2387.740943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2387.740943 (E_RNA) where: Base-Base interactions energy: -1616.043 where: short stacking energy: -701.691 Base-Backbone interact. energy: -3.285 local terms energy: -768.412484 where: bonds (distance) C4'-P energy: -151.112 bonds (distance) P-C4' energy: -158.892 flat angles C4'-P-C4' energy: -171.525 flat angles P-C4'-P energy: -104.315 tors. eta vs tors. theta energy: -182.568 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: 10 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -2108.016063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2108.016063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2108.016063 (E_RNA) where: Base-Base interactions energy: -1456.396 where: short stacking energy: -610.689 Base-Backbone interact. energy: -1.954 local terms energy: -649.665790 where: bonds (distance) C4'-P energy: -146.772 bonds (distance) P-C4' energy: -123.790 flat angles C4'-P-C4' energy: -159.262 flat angles P-C4'-P energy: -82.297 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: 9, replica: 9 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -1666.873001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.873001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.873001 (E_RNA) where: Base-Base interactions energy: -1038.515 where: short stacking energy: -480.333 Base-Backbone interact. energy: 2.378 local terms energy: -630.736053 where: bonds (distance) C4'-P energy: -137.027 bonds (distance) P-C4' energy: -144.837 flat angles C4'-P-C4' energy: -139.421 flat angles P-C4'-P energy: -102.091 tors. eta vs tors. theta energy: -107.360 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: 10, replica: 5 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -1295.510755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.510755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.510755 (E_RNA) where: Base-Base interactions energy: -776.084 where: short stacking energy: -361.598 Base-Backbone interact. energy: -0.996 local terms energy: -518.430505 where: bonds (distance) C4'-P energy: -133.328 bonds (distance) P-C4' energy: -149.460 flat angles C4'-P-C4' energy: -127.757 flat angles P-C4'-P energy: -73.494 tors. eta vs tors. theta energy: -34.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -3306.034784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3306.034784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3306.034784 (E_RNA) where: Base-Base interactions energy: -2323.264 where: short stacking energy: -987.621 Base-Backbone interact. energy: 0.826 local terms energy: -983.597019 where: bonds (distance) C4'-P energy: -176.777 bonds (distance) P-C4' energy: -174.284 flat angles C4'-P-C4' energy: -201.569 flat angles P-C4'-P energy: -142.296 tors. eta vs tors. theta energy: -288.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -3114.742445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.742445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.742445 (E_RNA) where: Base-Base interactions energy: -2155.592 where: short stacking energy: -926.530 Base-Backbone interact. energy: -3.689 local terms energy: -955.461118 where: bonds (distance) C4'-P energy: -164.498 bonds (distance) P-C4' energy: -188.837 flat angles C4'-P-C4' energy: -199.074 flat angles P-C4'-P energy: -141.290 tors. eta vs tors. theta energy: -261.761 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: 283 Temperature: 1.000000 Total energy: -3022.719423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.719423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.719423 (E_RNA) where: Base-Base interactions energy: -2099.314 where: short stacking energy: -896.442 Base-Backbone interact. energy: -2.555 local terms energy: -920.850227 where: bonds (distance) C4'-P energy: -161.704 bonds (distance) P-C4' energy: -172.567 flat angles C4'-P-C4' energy: -200.901 flat angles P-C4'-P energy: -127.194 tors. eta vs tors. theta energy: -258.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -2833.046618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.046618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.046618 (E_RNA) where: Base-Base interactions energy: -1990.421 where: short stacking energy: -812.146 Base-Backbone interact. energy: -2.674 local terms energy: -839.952499 where: bonds (distance) C4'-P energy: -166.820 bonds (distance) P-C4' energy: -164.495 flat angles C4'-P-C4' energy: -165.346 flat angles P-C4'-P energy: -123.257 tors. eta vs tors. theta energy: -220.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -2634.822448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.822448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.822448 (E_RNA) where: Base-Base interactions energy: -1812.437 where: short stacking energy: -782.483 Base-Backbone interact. energy: 10.189 local terms energy: -832.574924 where: bonds (distance) C4'-P energy: -132.352 bonds (distance) P-C4' energy: -174.647 flat angles C4'-P-C4' energy: -184.690 flat angles P-C4'-P energy: -124.255 tors. eta vs tors. theta energy: -216.632 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: 6, replica: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -2553.366177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2553.366177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2553.366177 (E_RNA) where: Base-Base interactions energy: -1757.324 where: short stacking energy: -733.201 Base-Backbone interact. energy: -2.417 local terms energy: -793.624833 where: bonds (distance) C4'-P energy: -150.358 bonds (distance) P-C4' energy: -165.572 flat angles C4'-P-C4' energy: -177.309 flat angles P-C4'-P energy: -104.419 tors. eta vs tors. theta energy: -195.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -2329.614829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.614829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.614829 (E_RNA) where: Base-Base interactions energy: -1577.852 where: short stacking energy: -692.073 Base-Backbone interact. energy: 0.822 local terms energy: -752.585588 where: bonds (distance) C4'-P energy: -151.776 bonds (distance) P-C4' energy: -142.280 flat angles C4'-P-C4' energy: -173.690 flat angles P-C4'-P energy: -110.918 tors. eta vs tors. theta energy: -173.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -2107.896281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2107.896281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2107.896281 (E_RNA) where: Base-Base interactions energy: -1440.315 where: short stacking energy: -626.469 Base-Backbone interact. energy: -0.480 local terms energy: -667.101179 where: bonds (distance) C4'-P energy: -128.416 bonds (distance) P-C4' energy: -150.906 flat angles C4'-P-C4' energy: -155.417 flat angles P-C4'-P energy: -81.271 tors. eta vs tors. theta energy: -151.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -1593.765187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.765187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.765187 (E_RNA) where: Base-Base interactions energy: -1031.087 where: short stacking energy: -464.719 Base-Backbone interact. energy: -0.356 local terms energy: -562.322595 where: bonds (distance) C4'-P energy: -117.011 bonds (distance) P-C4' energy: -137.748 flat angles C4'-P-C4' energy: -156.145 flat angles P-C4'-P energy: -73.569 tors. eta vs tors. theta energy: -77.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -1299.471094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.471094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.471094 (E_RNA) where: Base-Base interactions energy: -778.336 where: short stacking energy: -365.326 Base-Backbone interact. energy: 0.045 local terms energy: -521.180043 where: bonds (distance) C4'-P energy: -151.964 bonds (distance) P-C4' energy: -138.412 flat angles C4'-P-C4' energy: -132.925 flat angles P-C4'-P energy: -66.980 tors. eta vs tors. theta energy: -30.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -3292.561623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3292.561623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3292.561623 (E_RNA) where: Base-Base interactions energy: -2296.219 where: short stacking energy: -975.175 Base-Backbone interact. energy: -0.329 local terms energy: -996.013891 where: bonds (distance) C4'-P energy: -176.809 bonds (distance) P-C4' energy: -188.329 flat angles C4'-P-C4' energy: -204.826 flat angles P-C4'-P energy: -128.974 tors. eta vs tors. theta energy: -297.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -3108.259162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.259162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.259162 (E_RNA) where: Base-Base interactions energy: -2164.319 where: short stacking energy: -934.720 Base-Backbone interact. energy: -4.012 local terms energy: -939.928636 where: bonds (distance) C4'-P energy: -166.853 bonds (distance) P-C4' energy: -182.655 flat angles C4'-P-C4' energy: -194.493 flat angles P-C4'-P energy: -137.070 tors. eta vs tors. theta energy: -258.857 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: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -3028.855614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.855614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.855614 (E_RNA) where: Base-Base interactions energy: -2089.199 where: short stacking energy: -899.054 Base-Backbone interact. energy: 1.306 local terms energy: -940.962583 where: bonds (distance) C4'-P energy: -166.394 bonds (distance) P-C4' energy: -177.541 flat angles C4'-P-C4' energy: -199.400 flat angles P-C4'-P energy: -136.889 tors. eta vs tors. theta energy: -260.739 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: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -2851.870404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.870404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.870404 (E_RNA) where: Base-Base interactions energy: -2010.946 where: short stacking energy: -836.521 Base-Backbone interact. energy: -5.831 local terms energy: -835.093534 where: bonds (distance) C4'-P energy: -158.234 bonds (distance) P-C4' energy: -142.314 flat angles C4'-P-C4' energy: -189.953 flat angles P-C4'-P energy: -113.700 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: 6 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -2667.245053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.245053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.245053 (E_RNA) where: Base-Base interactions energy: -1857.031 where: short stacking energy: -794.664 Base-Backbone interact. energy: 3.327 local terms energy: -813.540740 where: bonds (distance) C4'-P energy: -154.933 bonds (distance) P-C4' energy: -145.864 flat angles C4'-P-C4' energy: -180.853 flat angles P-C4'-P energy: -112.191 tors. eta vs tors. theta energy: -219.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -2497.495524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.495524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.495524 (E_RNA) where: Base-Base interactions energy: -1699.106 where: short stacking energy: -734.229 Base-Backbone interact. energy: -1.398 local terms energy: -796.991129 where: bonds (distance) C4'-P energy: -146.587 bonds (distance) P-C4' energy: -154.403 flat angles C4'-P-C4' energy: -174.970 flat angles P-C4'-P energy: -111.120 tors. eta vs tors. theta energy: -209.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -2364.559027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.559027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.559027 (E_RNA) where: Base-Base interactions energy: -1621.523 where: short stacking energy: -698.529 Base-Backbone interact. energy: -1.531 local terms energy: -741.505222 where: bonds (distance) C4'-P energy: -148.723 bonds (distance) P-C4' energy: -164.749 flat angles C4'-P-C4' energy: -148.765 flat angles P-C4'-P energy: -98.366 tors. eta vs tors. theta energy: -180.903 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: 10 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -2097.352944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2097.352944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2097.352944 (E_RNA) where: Base-Base interactions energy: -1414.408 where: short stacking energy: -630.267 Base-Backbone interact. energy: -1.828 local terms energy: -681.116958 where: bonds (distance) C4'-P energy: -155.253 bonds (distance) P-C4' energy: -142.734 flat angles C4'-P-C4' energy: -153.987 flat angles P-C4'-P energy: -91.201 tors. eta vs tors. theta energy: -137.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -1645.964136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.964136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.964136 (E_RNA) where: Base-Base interactions energy: -1030.754 where: short stacking energy: -470.644 Base-Backbone interact. energy: 2.841 local terms energy: -618.050841 where: bonds (distance) C4'-P energy: -143.619 bonds (distance) P-C4' energy: -156.634 flat angles C4'-P-C4' energy: -153.218 flat angles P-C4'-P energy: -94.447 tors. eta vs tors. theta energy: -70.132 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: 10, replica: 5 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -1331.610323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.610323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.610323 (E_RNA) where: Base-Base interactions energy: -813.787 where: short stacking energy: -366.873 Base-Backbone interact. energy: 2.942 local terms energy: -520.765698 where: bonds (distance) C4'-P energy: -113.691 bonds (distance) P-C4' energy: -140.137 flat angles C4'-P-C4' energy: -140.341 flat angles P-C4'-P energy: -96.847 tors. eta vs tors. theta energy: -29.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -3289.378066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3289.378066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3289.378066 (E_RNA) where: Base-Base interactions energy: -2306.347 where: short stacking energy: -999.096 Base-Backbone interact. energy: -1.358 local terms energy: -981.672909 where: bonds (distance) C4'-P energy: -181.168 bonds (distance) P-C4' energy: -174.937 flat angles C4'-P-C4' energy: -202.654 flat angles P-C4'-P energy: -136.057 tors. eta vs tors. theta energy: -286.856 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: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -3032.319001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3032.319001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3032.319001 (E_RNA) where: Base-Base interactions energy: -2107.775 where: short stacking energy: -929.202 Base-Backbone interact. energy: -2.145 local terms energy: -922.398279 where: bonds (distance) C4'-P energy: -162.171 bonds (distance) P-C4' energy: -172.575 flat angles C4'-P-C4' energy: -202.453 flat angles P-C4'-P energy: -129.051 tors. eta vs tors. theta energy: -256.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -3040.331474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.331474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.331474 (E_RNA) where: Base-Base interactions energy: -2084.349 where: short stacking energy: -916.540 Base-Backbone interact. energy: -0.567 local terms energy: -955.415262 where: bonds (distance) C4'-P energy: -171.434 bonds (distance) P-C4' energy: -171.439 flat angles C4'-P-C4' energy: -208.103 flat angles P-C4'-P energy: -128.541 tors. eta vs tors. theta energy: -275.898 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: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -2791.157307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.157307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.157307 (E_RNA) where: Base-Base interactions energy: -1919.417 where: short stacking energy: -837.353 Base-Backbone interact. energy: 3.753 local terms energy: -875.492740 where: bonds (distance) C4'-P energy: -156.063 bonds (distance) P-C4' energy: -179.314 flat angles C4'-P-C4' energy: -177.873 flat angles P-C4'-P energy: -126.114 tors. eta vs tors. theta energy: -236.129 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: 6 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -2679.767601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.767601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.767601 (E_RNA) where: Base-Base interactions energy: -1847.160 where: short stacking energy: -776.401 Base-Backbone interact. energy: -2.928 local terms energy: -829.679251 where: bonds (distance) C4'-P energy: -143.928 bonds (distance) P-C4' energy: -177.942 flat angles C4'-P-C4' energy: -186.744 flat angles P-C4'-P energy: -113.836 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: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -2557.684282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.684282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.684282 (E_RNA) where: Base-Base interactions energy: -1751.814 where: short stacking energy: -706.446 Base-Backbone interact. energy: -1.176 local terms energy: -804.694026 where: bonds (distance) C4'-P energy: -163.881 bonds (distance) P-C4' energy: -144.394 flat angles C4'-P-C4' energy: -175.898 flat angles P-C4'-P energy: -130.656 tors. eta vs tors. theta energy: -189.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -2418.223891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.223891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.223891 (E_RNA) where: Base-Base interactions energy: -1664.990 where: short stacking energy: -726.973 Base-Backbone interact. energy: 1.820 local terms energy: -755.054099 where: bonds (distance) C4'-P energy: -140.754 bonds (distance) P-C4' energy: -160.283 flat angles C4'-P-C4' energy: -162.150 flat angles P-C4'-P energy: -83.833 tors. eta vs tors. theta energy: -208.035 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: 10 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -2083.127277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.127277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.127277 (E_RNA) where: Base-Base interactions energy: -1387.500 where: short stacking energy: -581.385 Base-Backbone interact. energy: 0.605 local terms energy: -696.232087 where: bonds (distance) C4'-P energy: -135.876 bonds (distance) P-C4' energy: -141.061 flat angles C4'-P-C4' energy: -160.769 flat angles P-C4'-P energy: -109.197 tors. eta vs tors. theta energy: -149.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -1642.132559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.132559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.132559 (E_RNA) where: Base-Base interactions energy: -1072.049 where: short stacking energy: -464.929 Base-Backbone interact. energy: -3.153 local terms energy: -566.931154 where: bonds (distance) C4'-P energy: -137.412 bonds (distance) P-C4' energy: -131.406 flat angles C4'-P-C4' energy: -150.387 flat angles P-C4'-P energy: -75.513 tors. eta vs tors. theta energy: -72.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -1289.924228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.924228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.924228 (E_RNA) where: Base-Base interactions energy: -781.121 where: short stacking energy: -365.269 Base-Backbone interact. energy: -3.214 local terms energy: -505.588587 where: bonds (distance) C4'-P energy: -137.416 bonds (distance) P-C4' energy: -137.664 flat angles C4'-P-C4' energy: -127.043 flat angles P-C4'-P energy: -72.329 tors. eta vs tors. theta energy: -31.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -3274.494557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3274.494557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3274.494557 (E_RNA) where: Base-Base interactions energy: -2304.009 where: short stacking energy: -961.865 Base-Backbone interact. energy: -4.243 local terms energy: -966.242966 where: bonds (distance) C4'-P energy: -181.109 bonds (distance) P-C4' energy: -181.351 flat angles C4'-P-C4' energy: -202.772 flat angles P-C4'-P energy: -119.828 tors. eta vs tors. theta energy: -281.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -3106.256294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3106.256294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3106.256294 (E_RNA) where: Base-Base interactions energy: -2168.371 where: short stacking energy: -938.135 Base-Backbone interact. energy: -5.016 local terms energy: -932.869735 where: bonds (distance) C4'-P energy: -171.937 bonds (distance) P-C4' energy: -175.024 flat angles C4'-P-C4' energy: -200.181 flat angles P-C4'-P energy: -121.447 tors. eta vs tors. theta energy: -264.281 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: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -3001.928711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3001.928711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3001.928711 (E_RNA) where: Base-Base interactions energy: -2068.259 where: short stacking energy: -889.663 Base-Backbone interact. energy: -1.272 local terms energy: -932.397831 where: bonds (distance) C4'-P energy: -189.404 bonds (distance) P-C4' energy: -175.096 flat angles C4'-P-C4' energy: -191.751 flat angles P-C4'-P energy: -124.082 tors. eta vs tors. theta energy: -252.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -2849.990060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.990060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.990060 (E_RNA) where: Base-Base interactions energy: -1966.432 where: short stacking energy: -827.255 Base-Backbone interact. energy: -2.211 local terms energy: -881.347597 where: bonds (distance) C4'-P energy: -155.789 bonds (distance) P-C4' energy: -167.303 flat angles C4'-P-C4' energy: -192.200 flat angles P-C4'-P energy: -125.254 tors. eta vs tors. theta energy: -240.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -2693.591918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.591918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.591918 (E_RNA) where: Base-Base interactions energy: -1855.551 where: short stacking energy: -785.843 Base-Backbone interact. energy: -1.847 local terms energy: -836.194007 where: bonds (distance) C4'-P energy: -155.644 bonds (distance) P-C4' energy: -173.590 flat angles C4'-P-C4' energy: -184.382 flat angles P-C4'-P energy: -117.249 tors. eta vs tors. theta energy: -205.329 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: 4 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -2565.706924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2565.706924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2565.706924 (E_RNA) where: Base-Base interactions energy: -1772.603 where: short stacking energy: -749.623 Base-Backbone interact. energy: -1.043 local terms energy: -792.060555 where: bonds (distance) C4'-P energy: -154.743 bonds (distance) P-C4' energy: -147.616 flat angles C4'-P-C4' energy: -178.866 flat angles P-C4'-P energy: -107.865 tors. eta vs tors. theta energy: -202.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -2438.986289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2438.986289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2438.986289 (E_RNA) where: Base-Base interactions energy: -1670.500 where: short stacking energy: -714.907 Base-Backbone interact. energy: -0.042 local terms energy: -768.444816 where: bonds (distance) C4'-P energy: -151.364 bonds (distance) P-C4' energy: -146.660 flat angles C4'-P-C4' energy: -180.080 flat angles P-C4'-P energy: -103.540 tors. eta vs tors. theta energy: -186.801 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: 286 Temperature: 1.250000 Total energy: -1983.788026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.788026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.788026 (E_RNA) where: Base-Base interactions energy: -1322.747 where: short stacking energy: -603.357 Base-Backbone interact. energy: -6.103 local terms energy: -654.938565 where: bonds (distance) C4'-P energy: -150.490 bonds (distance) P-C4' energy: -154.096 flat angles C4'-P-C4' energy: -144.751 flat angles P-C4'-P energy: -80.846 tors. eta vs tors. theta energy: -124.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -1562.570912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.570912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.570912 (E_RNA) where: Base-Base interactions energy: -998.725 where: short stacking energy: -440.730 Base-Backbone interact. energy: 9.232 local terms energy: -573.077694 where: bonds (distance) C4'-P energy: -141.239 bonds (distance) P-C4' energy: -164.355 flat angles C4'-P-C4' energy: -136.457 flat angles P-C4'-P energy: -59.060 tors. eta vs tors. theta energy: -71.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -1306.760090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.760090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.760090 (E_RNA) where: Base-Base interactions energy: -770.731 where: short stacking energy: -376.570 Base-Backbone interact. energy: 8.576 local terms energy: -544.605168 where: bonds (distance) C4'-P energy: -137.211 bonds (distance) P-C4' energy: -160.165 flat angles C4'-P-C4' energy: -152.392 flat angles P-C4'-P energy: -52.424 tors. eta vs tors. theta energy: -42.413 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: 2 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -3268.937108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3268.937108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3268.937108 (E_RNA) where: Base-Base interactions energy: -2315.387 where: short stacking energy: -975.844 Base-Backbone interact. energy: -0.630 local terms energy: -952.920211 where: bonds (distance) C4'-P energy: -175.649 bonds (distance) P-C4' energy: -164.098 flat angles C4'-P-C4' energy: -195.265 flat angles P-C4'-P energy: -140.867 tors. eta vs tors. theta energy: -277.042 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: 1 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -3118.772519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.772519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.772519 (E_RNA) where: Base-Base interactions energy: -2172.352 where: short stacking energy: -946.359 Base-Backbone interact. energy: -4.469 local terms energy: -941.952199 where: bonds (distance) C4'-P energy: -154.479 bonds (distance) P-C4' energy: -189.211 flat angles C4'-P-C4' energy: -193.492 flat angles P-C4'-P energy: -137.774 tors. eta vs tors. theta energy: -266.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -2965.695131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.695131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.695131 (E_RNA) where: Base-Base interactions energy: -2047.507 where: short stacking energy: -870.448 Base-Backbone interact. energy: 0.136 local terms energy: -918.324350 where: bonds (distance) C4'-P energy: -157.886 bonds (distance) P-C4' energy: -180.521 flat angles C4'-P-C4' energy: -204.482 flat angles P-C4'-P energy: -120.517 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: 4, replica: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -2832.573067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.573067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.573067 (E_RNA) where: Base-Base interactions energy: -1942.326 where: short stacking energy: -828.106 Base-Backbone interact. energy: -2.252 local terms energy: -887.995478 where: bonds (distance) C4'-P energy: -175.013 bonds (distance) P-C4' energy: -165.730 flat angles C4'-P-C4' energy: -189.252 flat angles P-C4'-P energy: -120.352 tors. eta vs tors. theta energy: -237.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -2664.548145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2664.548145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2664.548145 (E_RNA) where: Base-Base interactions energy: -1811.216 where: short stacking energy: -808.650 Base-Backbone interact. energy: -1.292 local terms energy: -852.040636 where: bonds (distance) C4'-P energy: -168.838 bonds (distance) P-C4' energy: -144.007 flat angles C4'-P-C4' energy: -197.931 flat angles P-C4'-P energy: -127.391 tors. eta vs tors. theta energy: -213.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -2504.214575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.214575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.214575 (E_RNA) where: Base-Base interactions energy: -1715.214 where: short stacking energy: -739.079 Base-Backbone interact. energy: 0.127 local terms energy: -789.127331 where: bonds (distance) C4'-P energy: -153.220 bonds (distance) P-C4' energy: -164.094 flat angles C4'-P-C4' energy: -174.416 flat angles P-C4'-P energy: -95.186 tors. eta vs tors. theta energy: -202.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -2439.462838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.462838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.462838 (E_RNA) where: Base-Base interactions energy: -1658.397 where: short stacking energy: -710.587 Base-Backbone interact. energy: 1.946 local terms energy: -783.011729 where: bonds (distance) C4'-P energy: -142.310 bonds (distance) P-C4' energy: -163.115 flat angles C4'-P-C4' energy: -171.541 flat angles P-C4'-P energy: -106.774 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: 8, replica: 10 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -2015.902012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.902012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.902012 (E_RNA) where: Base-Base interactions energy: -1322.089 where: short stacking energy: -610.473 Base-Backbone interact. energy: 0.576 local terms energy: -694.389246 where: bonds (distance) C4'-P energy: -156.892 bonds (distance) P-C4' energy: -156.075 flat angles C4'-P-C4' energy: -156.465 flat angles P-C4'-P energy: -92.995 tors. eta vs tors. theta energy: -131.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -1583.410026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.410026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.410026 (E_RNA) where: Base-Base interactions energy: -1030.758 where: short stacking energy: -466.417 Base-Backbone interact. energy: 4.057 local terms energy: -556.708804 where: bonds (distance) C4'-P energy: -119.803 bonds (distance) P-C4' energy: -134.652 flat angles C4'-P-C4' energy: -141.139 flat angles P-C4'-P energy: -93.388 tors. eta vs tors. theta energy: -67.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -1273.049103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.049103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.049103 (E_RNA) where: Base-Base interactions energy: -759.850 where: short stacking energy: -363.330 Base-Backbone interact. energy: 1.606 local terms energy: -514.805646 where: bonds (distance) C4'-P energy: -132.160 bonds (distance) P-C4' energy: -141.091 flat angles C4'-P-C4' energy: -153.462 flat angles P-C4'-P energy: -70.325 tors. eta vs tors. theta energy: -17.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -3282.350236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3282.350236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3282.350236 (E_RNA) where: Base-Base interactions energy: -2283.032 where: short stacking energy: -988.247 Base-Backbone interact. energy: -0.288 local terms energy: -999.030100 where: bonds (distance) C4'-P energy: -186.514 bonds (distance) P-C4' energy: -165.391 flat angles C4'-P-C4' energy: -214.696 flat angles P-C4'-P energy: -143.782 tors. eta vs tors. theta energy: -288.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -3119.631892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.631892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.631892 (E_RNA) where: Base-Base interactions energy: -2173.400 where: short stacking energy: -954.920 Base-Backbone interact. energy: -3.517 local terms energy: -942.714910 where: bonds (distance) C4'-P energy: -164.698 bonds (distance) P-C4' energy: -181.339 flat angles C4'-P-C4' energy: -193.941 flat angles P-C4'-P energy: -128.946 tors. eta vs tors. theta energy: -273.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -2999.321845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.321845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.321845 (E_RNA) where: Base-Base interactions energy: -2076.886 where: short stacking energy: -919.027 Base-Backbone interact. energy: -3.432 local terms energy: -919.003685 where: bonds (distance) C4'-P energy: -161.714 bonds (distance) P-C4' energy: -162.387 flat angles C4'-P-C4' energy: -209.612 flat angles P-C4'-P energy: -140.281 tors. eta vs tors. theta energy: -245.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -2823.559777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.559777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.559777 (E_RNA) where: Base-Base interactions energy: -1951.254 where: short stacking energy: -824.189 Base-Backbone interact. energy: -0.758 local terms energy: -871.547255 where: bonds (distance) C4'-P energy: -167.023 bonds (distance) P-C4' energy: -156.017 flat angles C4'-P-C4' energy: -195.746 flat angles P-C4'-P energy: -116.048 tors. eta vs tors. theta energy: -236.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -2589.313541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.313541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.313541 (E_RNA) where: Base-Base interactions energy: -1755.359 where: short stacking energy: -764.495 Base-Backbone interact. energy: -0.856 local terms energy: -833.097849 where: bonds (distance) C4'-P energy: -167.201 bonds (distance) P-C4' energy: -158.493 flat angles C4'-P-C4' energy: -175.702 flat angles P-C4'-P energy: -122.119 tors. eta vs tors. theta energy: -209.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -2607.495136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.495136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.495136 (E_RNA) where: Base-Base interactions energy: -1766.989 where: short stacking energy: -747.458 Base-Backbone interact. energy: 0.947 local terms energy: -841.453972 where: bonds (distance) C4'-P energy: -147.905 bonds (distance) P-C4' energy: -170.689 flat angles C4'-P-C4' energy: -183.632 flat angles P-C4'-P energy: -122.911 tors. eta vs tors. theta energy: -216.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -2372.882577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.882577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.882577 (E_RNA) where: Base-Base interactions energy: -1635.474 where: short stacking energy: -717.011 Base-Backbone interact. energy: 0.225 local terms energy: -737.633011 where: bonds (distance) C4'-P energy: -156.062 bonds (distance) P-C4' energy: -149.621 flat angles C4'-P-C4' energy: -171.004 flat angles P-C4'-P energy: -80.557 tors. eta vs tors. theta energy: -180.389 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: 8, replica: 10 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1956.834281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.834281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.834281 (E_RNA) where: Base-Base interactions energy: -1295.859 where: short stacking energy: -563.956 Base-Backbone interact. energy: -1.505 local terms energy: -659.470696 where: bonds (distance) C4'-P energy: -141.633 bonds (distance) P-C4' energy: -153.210 flat angles C4'-P-C4' energy: -180.266 flat angles P-C4'-P energy: -67.553 tors. eta vs tors. theta energy: -116.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -1554.898423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.898423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.898423 (E_RNA) where: Base-Base interactions energy: -994.412 where: short stacking energy: -472.347 Base-Backbone interact. energy: 6.546 local terms energy: -567.032596 where: bonds (distance) C4'-P energy: -134.959 bonds (distance) P-C4' energy: -141.646 flat angles C4'-P-C4' energy: -132.752 flat angles P-C4'-P energy: -73.716 tors. eta vs tors. theta energy: -83.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -1321.282002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.282002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.282002 (E_RNA) where: Base-Base interactions energy: -790.526 where: short stacking energy: -378.620 Base-Backbone interact. energy: 0.313 local terms energy: -531.068997 where: bonds (distance) C4'-P energy: -138.079 bonds (distance) P-C4' energy: -133.676 flat angles C4'-P-C4' energy: -130.224 flat angles P-C4'-P energy: -90.598 tors. eta vs tors. theta energy: -38.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -3332.190573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3332.190573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3332.190573 (E_RNA) where: Base-Base interactions energy: -2333.691 where: short stacking energy: -984.596 Base-Backbone interact. energy: -4.841 local terms energy: -993.659016 where: bonds (distance) C4'-P energy: -173.943 bonds (distance) P-C4' energy: -174.187 flat angles C4'-P-C4' energy: -221.348 flat angles P-C4'-P energy: -129.590 tors. eta vs tors. theta energy: -294.592 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: 289 Temperature: 0.950000 Total energy: -3075.304450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.304450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.304450 (E_RNA) where: Base-Base interactions energy: -2151.192 where: short stacking energy: -907.868 Base-Backbone interact. energy: -2.857 local terms energy: -921.255228 where: bonds (distance) C4'-P energy: -168.019 bonds (distance) P-C4' energy: -178.211 flat angles C4'-P-C4' energy: -193.113 flat angles P-C4'-P energy: -131.075 tors. eta vs tors. theta energy: -250.838 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: 7 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -2993.798499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.798499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.798499 (E_RNA) where: Base-Base interactions energy: -2056.590 where: short stacking energy: -826.288 Base-Backbone interact. energy: -4.886 local terms energy: -932.322246 where: bonds (distance) C4'-P energy: -173.410 bonds (distance) P-C4' energy: -171.010 flat angles C4'-P-C4' energy: -201.247 flat angles P-C4'-P energy: -144.684 tors. eta vs tors. theta energy: -241.970 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: 8 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -2817.068278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2817.068278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2817.068278 (E_RNA) where: Base-Base interactions energy: -1923.647 where: short stacking energy: -802.238 Base-Backbone interact. energy: 0.519 local terms energy: -893.940658 where: bonds (distance) C4'-P energy: -163.767 bonds (distance) P-C4' energy: -184.747 flat angles C4'-P-C4' energy: -199.791 flat angles P-C4'-P energy: -129.562 tors. eta vs tors. theta energy: -216.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -2597.868332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.868332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.868332 (E_RNA) where: Base-Base interactions energy: -1792.764 where: short stacking energy: -772.659 Base-Backbone interact. energy: -3.451 local terms energy: -801.652963 where: bonds (distance) C4'-P energy: -144.637 bonds (distance) P-C4' energy: -148.180 flat angles C4'-P-C4' energy: -187.674 flat angles P-C4'-P energy: -107.153 tors. eta vs tors. theta energy: -214.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -2615.017339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2615.017339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2615.017339 (E_RNA) where: Base-Base interactions energy: -1799.898 where: short stacking energy: -761.021 Base-Backbone interact. energy: -4.574 local terms energy: -810.545905 where: bonds (distance) C4'-P energy: -142.182 bonds (distance) P-C4' energy: -170.841 flat angles C4'-P-C4' energy: -179.294 flat angles P-C4'-P energy: -114.825 tors. eta vs tors. theta energy: -203.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -2366.110215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.110215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.110215 (E_RNA) where: Base-Base interactions energy: -1625.056 where: short stacking energy: -706.700 Base-Backbone interact. energy: 4.220 local terms energy: -745.273818 where: bonds (distance) C4'-P energy: -134.240 bonds (distance) P-C4' energy: -153.466 flat angles C4'-P-C4' energy: -177.287 flat angles P-C4'-P energy: -110.674 tors. eta vs tors. theta energy: -169.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1945.059948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.059948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.059948 (E_RNA) where: Base-Base interactions energy: -1281.490 where: short stacking energy: -563.972 Base-Backbone interact. energy: -0.556 local terms energy: -663.014252 where: bonds (distance) C4'-P energy: -144.024 bonds (distance) P-C4' energy: -148.117 flat angles C4'-P-C4' energy: -152.580 flat angles P-C4'-P energy: -86.622 tors. eta vs tors. theta energy: -131.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -1679.721351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.721351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.721351 (E_RNA) where: Base-Base interactions energy: -1088.935 where: short stacking energy: -481.367 Base-Backbone interact. energy: -1.187 local terms energy: -589.599453 where: bonds (distance) C4'-P energy: -127.767 bonds (distance) P-C4' energy: -139.101 flat angles C4'-P-C4' energy: -145.611 flat angles P-C4'-P energy: -78.935 tors. eta vs tors. theta energy: -98.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -1367.741066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.741066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.741066 (E_RNA) where: Base-Base interactions energy: -846.681 where: short stacking energy: -393.344 Base-Backbone interact. energy: -0.233 local terms energy: -520.827039 where: bonds (distance) C4'-P energy: -123.696 bonds (distance) P-C4' energy: -147.870 flat angles C4'-P-C4' energy: -128.307 flat angles P-C4'-P energy: -85.121 tors. eta vs tors. theta energy: -35.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -3282.527264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3282.527264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3282.527264 (E_RNA) where: Base-Base interactions energy: -2283.658 where: short stacking energy: -956.111 Base-Backbone interact. energy: -2.113 local terms energy: -996.755821 where: bonds (distance) C4'-P energy: -196.068 bonds (distance) P-C4' energy: -192.663 flat angles C4'-P-C4' energy: -202.657 flat angles P-C4'-P energy: -131.845 tors. eta vs tors. theta energy: -273.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -3129.552180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3129.552180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3129.552180 (E_RNA) where: Base-Base interactions energy: -2192.379 where: short stacking energy: -960.779 Base-Backbone interact. energy: 0.157 local terms energy: -937.329890 where: bonds (distance) C4'-P energy: -160.118 bonds (distance) P-C4' energy: -180.510 flat angles C4'-P-C4' energy: -210.586 flat angles P-C4'-P energy: -124.789 tors. eta vs tors. theta energy: -261.327 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: 7 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -3019.800910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.800910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.800910 (E_RNA) where: Base-Base interactions energy: -2114.086 where: short stacking energy: -892.781 Base-Backbone interact. energy: -1.987 local terms energy: -903.728702 where: bonds (distance) C4'-P energy: -159.454 bonds (distance) P-C4' energy: -178.977 flat angles C4'-P-C4' energy: -181.587 flat angles P-C4'-P energy: -116.959 tors. eta vs tors. theta energy: -266.751 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: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -2812.710450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2812.710450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2812.710450 (E_RNA) where: Base-Base interactions energy: -1972.549 where: short stacking energy: -826.083 Base-Backbone interact. energy: -1.572 local terms energy: -838.590020 where: bonds (distance) C4'-P energy: -148.898 bonds (distance) P-C4' energy: -165.890 flat angles C4'-P-C4' energy: -183.347 flat angles P-C4'-P energy: -119.022 tors. eta vs tors. theta energy: -221.433 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: 4 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -2606.941465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.941465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.941465 (E_RNA) where: Base-Base interactions energy: -1815.340 where: short stacking energy: -806.073 Base-Backbone interact. energy: 1.263 local terms energy: -792.864423 where: bonds (distance) C4'-P energy: -147.827 bonds (distance) P-C4' energy: -154.879 flat angles C4'-P-C4' energy: -181.840 flat angles P-C4'-P energy: -87.089 tors. eta vs tors. theta energy: -221.228 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: 290 Temperature: 1.150000 Total energy: -2574.749619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.749619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.749619 (E_RNA) where: Base-Base interactions energy: -1751.456 where: short stacking energy: -755.435 Base-Backbone interact. energy: -2.013 local terms energy: -821.280608 where: bonds (distance) C4'-P energy: -151.047 bonds (distance) P-C4' energy: -171.993 flat angles C4'-P-C4' energy: -182.310 flat angles P-C4'-P energy: -113.081 tors. eta vs tors. theta energy: -202.850 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: 290 Temperature: 1.200000 Total energy: -2398.512312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2398.512312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2398.512312 (E_RNA) where: Base-Base interactions energy: -1656.576 where: short stacking energy: -715.987 Base-Backbone interact. energy: -2.164 local terms energy: -739.772090 where: bonds (distance) C4'-P energy: -159.180 bonds (distance) P-C4' energy: -128.043 flat angles C4'-P-C4' energy: -173.042 flat angles P-C4'-P energy: -101.437 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: 8, replica: 10 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1933.808591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.808591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.808591 (E_RNA) where: Base-Base interactions energy: -1293.474 where: short stacking energy: -528.254 Base-Backbone interact. energy: -2.643 local terms energy: -637.691181 where: bonds (distance) C4'-P energy: -167.890 bonds (distance) P-C4' energy: -143.255 flat angles C4'-P-C4' energy: -152.682 flat angles P-C4'-P energy: -67.073 tors. eta vs tors. theta energy: -106.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -1675.510325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.510325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.510325 (E_RNA) where: Base-Base interactions energy: -1065.324 where: short stacking energy: -501.204 Base-Backbone interact. energy: -0.944 local terms energy: -609.241856 where: bonds (distance) C4'-P energy: -136.973 bonds (distance) P-C4' energy: -155.749 flat angles C4'-P-C4' energy: -130.862 flat angles P-C4'-P energy: -105.956 tors. eta vs tors. theta energy: -79.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -1414.023711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.023711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.023711 (E_RNA) where: Base-Base interactions energy: -877.520 where: short stacking energy: -402.391 Base-Backbone interact. energy: 0.020 local terms energy: -536.523063 where: bonds (distance) C4'-P energy: -123.800 bonds (distance) P-C4' energy: -160.251 flat angles C4'-P-C4' energy: -121.556 flat angles P-C4'-P energy: -84.007 tors. eta vs tors. theta energy: -46.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -3266.403485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3266.403485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3266.403485 (E_RNA) where: Base-Base interactions energy: -2311.347 where: short stacking energy: -961.033 Base-Backbone interact. energy: -4.070 local terms energy: -950.986040 where: bonds (distance) C4'-P energy: -161.910 bonds (distance) P-C4' energy: -182.912 flat angles C4'-P-C4' energy: -201.861 flat angles P-C4'-P energy: -137.572 tors. eta vs tors. theta energy: -266.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -3087.639995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.639995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.639995 (E_RNA) where: Base-Base interactions energy: -2127.676 where: short stacking energy: -901.342 Base-Backbone interact. energy: -3.911 local terms energy: -956.052707 where: bonds (distance) C4'-P energy: -173.192 bonds (distance) P-C4' energy: -175.491 flat angles C4'-P-C4' energy: -201.471 flat angles P-C4'-P energy: -144.562 tors. eta vs tors. theta energy: -261.337 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: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -3018.322270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.322270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.322270 (E_RNA) where: Base-Base interactions energy: -2104.539 where: short stacking energy: -875.207 Base-Backbone interact. energy: 0.038 local terms energy: -913.821122 where: bonds (distance) C4'-P energy: -156.226 bonds (distance) P-C4' energy: -179.891 flat angles C4'-P-C4' energy: -188.593 flat angles P-C4'-P energy: -139.390 tors. eta vs tors. theta energy: -249.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -2832.842867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.842867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.842867 (E_RNA) where: Base-Base interactions energy: -1981.788 where: short stacking energy: -852.060 Base-Backbone interact. energy: 3.256 local terms energy: -854.310909 where: bonds (distance) C4'-P energy: -158.014 bonds (distance) P-C4' energy: -170.601 flat angles C4'-P-C4' energy: -184.510 flat angles P-C4'-P energy: -109.322 tors. eta vs tors. theta energy: -231.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -2627.838320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.838320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.838320 (E_RNA) where: Base-Base interactions energy: -1777.738 where: short stacking energy: -765.858 Base-Backbone interact. energy: -0.705 local terms energy: -849.395536 where: bonds (distance) C4'-P energy: -154.401 bonds (distance) P-C4' energy: -175.152 flat angles C4'-P-C4' energy: -180.877 flat angles P-C4'-P energy: -129.443 tors. eta vs tors. theta energy: -209.522 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: 6, replica: 6 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -2557.520352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.520352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.520352 (E_RNA) where: Base-Base interactions energy: -1775.821 where: short stacking energy: -765.060 Base-Backbone interact. energy: -3.155 local terms energy: -778.544493 where: bonds (distance) C4'-P energy: -147.654 bonds (distance) P-C4' energy: -147.473 flat angles C4'-P-C4' energy: -181.406 flat angles P-C4'-P energy: -97.867 tors. eta vs tors. theta energy: -204.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -2422.855489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.855489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.855489 (E_RNA) where: Base-Base interactions energy: -1661.847 where: short stacking energy: -735.558 Base-Backbone interact. energy: -1.369 local terms energy: -759.639503 where: bonds (distance) C4'-P energy: -149.413 bonds (distance) P-C4' energy: -149.375 flat angles C4'-P-C4' energy: -148.756 flat angles P-C4'-P energy: -120.443 tors. eta vs tors. theta energy: -191.652 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: 291 Temperature: 1.250000 Total energy: -1949.505396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.505396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.505396 (E_RNA) where: Base-Base interactions energy: -1327.429 where: short stacking energy: -520.226 Base-Backbone interact. energy: -1.881 local terms energy: -620.195235 where: bonds (distance) C4'-P energy: -145.009 bonds (distance) P-C4' energy: -133.660 flat angles C4'-P-C4' energy: -160.497 flat angles P-C4'-P energy: -89.666 tors. eta vs tors. theta energy: -91.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -1676.502684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.502684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.502684 (E_RNA) where: Base-Base interactions energy: -1087.351 where: short stacking energy: -515.165 Base-Backbone interact. energy: 5.939 local terms energy: -595.090434 where: bonds (distance) C4'-P energy: -127.461 bonds (distance) P-C4' energy: -147.744 flat angles C4'-P-C4' energy: -126.350 flat angles P-C4'-P energy: -96.962 tors. eta vs tors. theta energy: -96.574 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: 5 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -1312.879703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.879703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.879703 (E_RNA) where: Base-Base interactions energy: -748.870 where: short stacking energy: -354.180 Base-Backbone interact. energy: -1.337 local terms energy: -562.672561 where: bonds (distance) C4'-P energy: -145.057 bonds (distance) P-C4' energy: -143.304 flat angles C4'-P-C4' energy: -168.292 flat angles P-C4'-P energy: -78.840 tors. eta vs tors. theta energy: -27.180 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: 2 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -3274.337883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3274.337883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3274.337883 (E_RNA) where: Base-Base interactions energy: -2313.281 where: short stacking energy: -952.995 Base-Backbone interact. energy: -1.764 local terms energy: -959.293699 where: bonds (distance) C4'-P energy: -172.161 bonds (distance) P-C4' energy: -186.809 flat angles C4'-P-C4' energy: -200.370 flat angles P-C4'-P energy: -120.621 tors. eta vs tors. theta energy: -279.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -3126.286825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.286825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.286825 (E_RNA) where: Base-Base interactions energy: -2175.068 where: short stacking energy: -918.858 Base-Backbone interact. energy: -1.661 local terms energy: -949.557642 where: bonds (distance) C4'-P energy: -185.612 bonds (distance) P-C4' energy: -186.704 flat angles C4'-P-C4' energy: -202.451 flat angles P-C4'-P energy: -120.085 tors. eta vs tors. theta energy: -254.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -3034.024276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.024276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.024276 (E_RNA) where: Base-Base interactions energy: -2103.451 where: short stacking energy: -887.314 Base-Backbone interact. energy: -2.210 local terms energy: -928.362953 where: bonds (distance) C4'-P energy: -179.472 bonds (distance) P-C4' energy: -155.332 flat angles C4'-P-C4' energy: -196.406 flat angles P-C4'-P energy: -135.627 tors. eta vs tors. theta energy: -261.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -2824.151028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.151028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.151028 (E_RNA) where: Base-Base interactions energy: -1946.642 where: short stacking energy: -834.347 Base-Backbone interact. energy: -5.267 local terms energy: -872.242332 where: bonds (distance) C4'-P energy: -156.521 bonds (distance) P-C4' energy: -179.085 flat angles C4'-P-C4' energy: -191.606 flat angles P-C4'-P energy: -102.775 tors. eta vs tors. theta energy: -242.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -2640.276026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2640.276026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2640.276026 (E_RNA) where: Base-Base interactions energy: -1773.088 where: short stacking energy: -757.765 Base-Backbone interact. energy: -4.358 local terms energy: -862.830042 where: bonds (distance) C4'-P energy: -141.604 bonds (distance) P-C4' energy: -181.240 flat angles C4'-P-C4' energy: -202.887 flat angles P-C4'-P energy: -119.759 tors. eta vs tors. theta energy: -217.341 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: 292 Temperature: 1.150000 Total energy: -2543.531889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.531889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.531889 (E_RNA) where: Base-Base interactions energy: -1774.833 where: short stacking energy: -750.864 Base-Backbone interact. energy: 0.079 local terms energy: -768.777857 where: bonds (distance) C4'-P energy: -153.425 bonds (distance) P-C4' energy: -144.029 flat angles C4'-P-C4' energy: -180.100 flat angles P-C4'-P energy: -105.068 tors. eta vs tors. theta energy: -186.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -2380.721054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.721054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.721054 (E_RNA) where: Base-Base interactions energy: -1643.519 where: short stacking energy: -713.073 Base-Backbone interact. energy: 6.664 local terms energy: -743.865800 where: bonds (distance) C4'-P energy: -150.879 bonds (distance) P-C4' energy: -141.104 flat angles C4'-P-C4' energy: -162.008 flat angles P-C4'-P energy: -104.822 tors. eta vs tors. theta energy: -185.053 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: 8, replica: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -2090.695205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2090.695205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2090.695205 (E_RNA) where: Base-Base interactions energy: -1380.100 where: short stacking energy: -627.018 Base-Backbone interact. energy: -3.614 local terms energy: -706.981356 where: bonds (distance) C4'-P energy: -161.281 bonds (distance) P-C4' energy: -138.623 flat angles C4'-P-C4' energy: -178.998 flat angles P-C4'-P energy: -87.249 tors. eta vs tors. theta energy: -140.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -1646.657813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.657813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.657813 (E_RNA) where: Base-Base interactions energy: -1080.588 where: short stacking energy: -481.765 Base-Backbone interact. energy: -4.253 local terms energy: -561.816578 where: bonds (distance) C4'-P energy: -131.371 bonds (distance) P-C4' energy: -144.552 flat angles C4'-P-C4' energy: -166.773 flat angles P-C4'-P energy: -52.651 tors. eta vs tors. theta energy: -66.470 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: 5 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -1316.095794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.095794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.095794 (E_RNA) where: Base-Base interactions energy: -782.529 where: short stacking energy: -369.209 Base-Backbone interact. energy: -2.568 local terms energy: -530.998498 where: bonds (distance) C4'-P energy: -135.789 bonds (distance) P-C4' energy: -129.083 flat angles C4'-P-C4' energy: -148.218 flat angles P-C4'-P energy: -81.958 tors. eta vs tors. theta energy: -35.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -3280.835950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3280.835950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3280.835950 (E_RNA) where: Base-Base interactions energy: -2275.429 where: short stacking energy: -968.746 Base-Backbone interact. energy: -3.926 local terms energy: -1001.481762 where: bonds (distance) C4'-P energy: -197.930 bonds (distance) P-C4' energy: -167.645 flat angles C4'-P-C4' energy: -205.819 flat angles P-C4'-P energy: -148.908 tors. eta vs tors. theta energy: -281.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -3096.854297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.854297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.854297 (E_RNA) where: Base-Base interactions energy: -2159.811 where: short stacking energy: -897.729 Base-Backbone interact. energy: -2.760 local terms energy: -934.283895 where: bonds (distance) C4'-P energy: -167.590 bonds (distance) P-C4' energy: -177.155 flat angles C4'-P-C4' energy: -186.970 flat angles P-C4'-P energy: -138.548 tors. eta vs tors. theta energy: -264.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -3023.126713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.126713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.126713 (E_RNA) where: Base-Base interactions energy: -2128.482 where: short stacking energy: -891.929 Base-Backbone interact. energy: -0.556 local terms energy: -894.088982 where: bonds (distance) C4'-P energy: -146.304 bonds (distance) P-C4' energy: -172.845 flat angles C4'-P-C4' energy: -195.494 flat angles P-C4'-P energy: -120.704 tors. eta vs tors. theta energy: -258.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -2798.424856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.424856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.424856 (E_RNA) where: Base-Base interactions energy: -1944.786 where: short stacking energy: -817.397 Base-Backbone interact. energy: -4.292 local terms energy: -849.346928 where: bonds (distance) C4'-P energy: -161.055 bonds (distance) P-C4' energy: -169.369 flat angles C4'-P-C4' energy: -182.654 flat angles P-C4'-P energy: -106.149 tors. eta vs tors. theta energy: -230.120 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: 4 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -2620.759922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.759922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.759922 (E_RNA) where: Base-Base interactions energy: -1803.928 where: short stacking energy: -776.007 Base-Backbone interact. energy: -2.145 local terms energy: -814.687375 where: bonds (distance) C4'-P energy: -135.930 bonds (distance) P-C4' energy: -145.365 flat angles C4'-P-C4' energy: -195.060 flat angles P-C4'-P energy: -122.568 tors. eta vs tors. theta energy: -215.763 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: 293 Temperature: 1.150000 Total energy: -2577.707132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2577.707132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2577.707132 (E_RNA) where: Base-Base interactions energy: -1749.801 where: short stacking energy: -758.485 Base-Backbone interact. energy: 0.750 local terms energy: -828.655379 where: bonds (distance) C4'-P energy: -160.005 bonds (distance) P-C4' energy: -162.004 flat angles C4'-P-C4' energy: -186.516 flat angles P-C4'-P energy: -114.254 tors. eta vs tors. theta energy: -205.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -2375.404692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2375.404692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2375.404692 (E_RNA) where: Base-Base interactions energy: -1623.493 where: short stacking energy: -669.296 Base-Backbone interact. energy: 1.852 local terms energy: -753.763008 where: bonds (distance) C4'-P energy: -149.584 bonds (distance) P-C4' energy: -141.229 flat angles C4'-P-C4' energy: -167.587 flat angles P-C4'-P energy: -109.190 tors. eta vs tors. theta energy: -186.174 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: 10 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -2100.085481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2100.085481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2100.085481 (E_RNA) where: Base-Base interactions energy: -1395.061 where: short stacking energy: -617.293 Base-Backbone interact. energy: -1.047 local terms energy: -703.977667 where: bonds (distance) C4'-P energy: -134.458 bonds (distance) P-C4' energy: -129.919 flat angles C4'-P-C4' energy: -179.697 flat angles P-C4'-P energy: -104.390 tors. eta vs tors. theta energy: -155.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -1680.999579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.999579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.999579 (E_RNA) where: Base-Base interactions energy: -1081.069 where: short stacking energy: -488.469 Base-Backbone interact. energy: 3.274 local terms energy: -603.203881 where: bonds (distance) C4'-P energy: -159.775 bonds (distance) P-C4' energy: -123.683 flat angles C4'-P-C4' energy: -136.857 flat angles P-C4'-P energy: -82.659 tors. eta vs tors. theta energy: -100.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -1359.007087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.007087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.007087 (E_RNA) where: Base-Base interactions energy: -865.638 where: short stacking energy: -432.131 Base-Backbone interact. energy: 0.320 local terms energy: -493.688204 where: bonds (distance) C4'-P energy: -123.180 bonds (distance) P-C4' energy: -141.009 flat angles C4'-P-C4' energy: -122.937 flat angles P-C4'-P energy: -50.918 tors. eta vs tors. theta energy: -55.643 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: 1, replica: 2 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -3312.488340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.488340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.488340 (E_RNA) where: Base-Base interactions energy: -2340.349 where: short stacking energy: -974.837 Base-Backbone interact. energy: -4.879 local terms energy: -967.260579 where: bonds (distance) C4'-P energy: -168.078 bonds (distance) P-C4' energy: -180.203 flat angles C4'-P-C4' energy: -200.295 flat angles P-C4'-P energy: -148.577 tors. eta vs tors. theta energy: -270.108 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: 1 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -3091.416464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.416464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.416464 (E_RNA) where: Base-Base interactions energy: -2173.585 where: short stacking energy: -921.971 Base-Backbone interact. energy: -0.236 local terms energy: -917.595757 where: bonds (distance) C4'-P energy: -141.034 bonds (distance) P-C4' energy: -168.606 flat angles C4'-P-C4' energy: -204.612 flat angles P-C4'-P energy: -144.874 tors. eta vs tors. theta energy: -258.469 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: 7 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -3044.482913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3044.482913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3044.482913 (E_RNA) where: Base-Base interactions energy: -2124.166 where: short stacking energy: -893.211 Base-Backbone interact. energy: -1.000 local terms energy: -919.316342 where: bonds (distance) C4'-P energy: -170.796 bonds (distance) P-C4' energy: -173.205 flat angles C4'-P-C4' energy: -187.913 flat angles P-C4'-P energy: -128.159 tors. eta vs tors. theta energy: -259.243 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: 4, replica: 8 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -2836.941872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2836.941872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2836.941872 (E_RNA) where: Base-Base interactions energy: -2007.737 where: short stacking energy: -842.039 Base-Backbone interact. energy: 0.849 local terms energy: -830.053330 where: bonds (distance) C4'-P energy: -141.391 bonds (distance) P-C4' energy: -149.664 flat angles C4'-P-C4' energy: -198.706 flat angles P-C4'-P energy: -122.289 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: 5, replica: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -2633.254609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.254609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.254609 (E_RNA) where: Base-Base interactions energy: -1815.295 where: short stacking energy: -774.578 Base-Backbone interact. energy: -1.679 local terms energy: -816.281385 where: bonds (distance) C4'-P energy: -145.378 bonds (distance) P-C4' energy: -161.115 flat angles C4'-P-C4' energy: -179.856 flat angles P-C4'-P energy: -111.786 tors. eta vs tors. theta energy: -218.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -2530.873594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.873594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.873594 (E_RNA) where: Base-Base interactions energy: -1732.571 where: short stacking energy: -740.693 Base-Backbone interact. energy: -0.987 local terms energy: -797.315896 where: bonds (distance) C4'-P energy: -162.687 bonds (distance) P-C4' energy: -160.417 flat angles C4'-P-C4' energy: -175.406 flat angles P-C4'-P energy: -103.106 tors. eta vs tors. theta energy: -195.701 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: 3 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -2420.857035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.857035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.857035 (E_RNA) where: Base-Base interactions energy: -1653.590 where: short stacking energy: -706.922 Base-Backbone interact. energy: -4.983 local terms energy: -762.283771 where: bonds (distance) C4'-P energy: -151.825 bonds (distance) P-C4' energy: -147.928 flat angles C4'-P-C4' energy: -158.241 flat angles P-C4'-P energy: -108.436 tors. eta vs tors. theta energy: -195.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -2036.617370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.617370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.617370 (E_RNA) where: Base-Base interactions energy: -1341.103 where: short stacking energy: -581.095 Base-Backbone interact. energy: -3.644 local terms energy: -691.870685 where: bonds (distance) C4'-P energy: -154.173 bonds (distance) P-C4' energy: -146.259 flat angles C4'-P-C4' energy: -154.181 flat angles P-C4'-P energy: -126.335 tors. eta vs tors. theta energy: -110.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -1647.005852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.005852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.005852 (E_RNA) where: Base-Base interactions energy: -1066.175 where: short stacking energy: -484.345 Base-Backbone interact. energy: 8.086 local terms energy: -588.916471 where: bonds (distance) C4'-P energy: -139.629 bonds (distance) P-C4' energy: -143.660 flat angles C4'-P-C4' energy: -151.633 flat angles P-C4'-P energy: -63.682 tors. eta vs tors. theta energy: -90.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -1303.570219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.570219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.570219 (E_RNA) where: Base-Base interactions energy: -762.835 where: short stacking energy: -384.505 Base-Backbone interact. energy: 3.655 local terms energy: -544.390888 where: bonds (distance) C4'-P energy: -144.518 bonds (distance) P-C4' energy: -139.849 flat angles C4'-P-C4' energy: -141.053 flat angles P-C4'-P energy: -81.807 tors. eta vs tors. theta energy: -37.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -3274.889885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3274.889885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3274.889885 (E_RNA) where: Base-Base interactions energy: -2291.531 where: short stacking energy: -964.142 Base-Backbone interact. energy: -2.888 local terms energy: -980.470426 where: bonds (distance) C4'-P energy: -181.462 bonds (distance) P-C4' energy: -174.281 flat angles C4'-P-C4' energy: -193.064 flat angles P-C4'-P energy: -153.378 tors. eta vs tors. theta energy: -278.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -3134.357144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.357144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.357144 (E_RNA) where: Base-Base interactions energy: -2192.517 where: short stacking energy: -954.305 Base-Backbone interact. energy: -4.918 local terms energy: -936.922713 where: bonds (distance) C4'-P energy: -162.513 bonds (distance) P-C4' energy: -179.451 flat angles C4'-P-C4' energy: -191.431 flat angles P-C4'-P energy: -136.690 tors. eta vs tors. theta energy: -266.838 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: 7 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -3003.629130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3003.629130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3003.629130 (E_RNA) where: Base-Base interactions energy: -2052.455 where: short stacking energy: -867.435 Base-Backbone interact. energy: 6.306 local terms energy: -957.480035 where: bonds (distance) C4'-P energy: -191.093 bonds (distance) P-C4' energy: -185.541 flat angles C4'-P-C4' energy: -194.752 flat angles P-C4'-P energy: -125.398 tors. eta vs tors. theta energy: -260.696 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: 4, replica: 8 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -2873.238436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.238436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.238436 (E_RNA) where: Base-Base interactions energy: -1982.668 where: short stacking energy: -832.972 Base-Backbone interact. energy: -4.990 local terms energy: -885.580556 where: bonds (distance) C4'-P energy: -168.456 bonds (distance) P-C4' energy: -154.167 flat angles C4'-P-C4' energy: -201.856 flat angles P-C4'-P energy: -140.898 tors. eta vs tors. theta energy: -220.203 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: 4 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -2576.853207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.853207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.853207 (E_RNA) where: Base-Base interactions energy: -1762.960 where: short stacking energy: -755.563 Base-Backbone interact. energy: 0.858 local terms energy: -814.751209 where: bonds (distance) C4'-P energy: -139.007 bonds (distance) P-C4' energy: -173.493 flat angles C4'-P-C4' energy: -183.841 flat angles P-C4'-P energy: -120.110 tors. eta vs tors. theta energy: -198.300 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: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -2515.783036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2515.783036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2515.783036 (E_RNA) where: Base-Base interactions energy: -1752.562 where: short stacking energy: -750.351 Base-Backbone interact. energy: 5.567 local terms energy: -768.788177 where: bonds (distance) C4'-P energy: -151.951 bonds (distance) P-C4' energy: -156.726 flat angles C4'-P-C4' energy: -178.587 flat angles P-C4'-P energy: -97.931 tors. eta vs tors. theta energy: -183.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -2400.462376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.462376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.462376 (E_RNA) where: Base-Base interactions energy: -1635.149 where: short stacking energy: -711.679 Base-Backbone interact. energy: -3.867 local terms energy: -761.446442 where: bonds (distance) C4'-P energy: -168.307 bonds (distance) P-C4' energy: -134.670 flat angles C4'-P-C4' energy: -173.321 flat angles P-C4'-P energy: -105.418 tors. eta vs tors. theta energy: -179.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -2051.079383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2051.079383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2051.079383 (E_RNA) where: Base-Base interactions energy: -1386.747 where: short stacking energy: -600.547 Base-Backbone interact. energy: -1.161 local terms energy: -663.170961 where: bonds (distance) C4'-P energy: -121.425 bonds (distance) P-C4' energy: -158.645 flat angles C4'-P-C4' energy: -170.407 flat angles P-C4'-P energy: -96.728 tors. eta vs tors. theta energy: -115.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -1549.604749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.604749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.604749 (E_RNA) where: Base-Base interactions energy: -970.698 where: short stacking energy: -482.598 Base-Backbone interact. energy: -3.011 local terms energy: -575.895674 where: bonds (distance) C4'-P energy: -162.461 bonds (distance) P-C4' energy: -130.008 flat angles C4'-P-C4' energy: -135.609 flat angles P-C4'-P energy: -72.336 tors. eta vs tors. theta energy: -75.481 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: 5 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -1292.223125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.223125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.223125 (E_RNA) where: Base-Base interactions energy: -776.525 where: short stacking energy: -353.227 Base-Backbone interact. energy: -2.083 local terms energy: -513.615495 where: bonds (distance) C4'-P energy: -129.495 bonds (distance) P-C4' energy: -150.485 flat angles C4'-P-C4' energy: -117.574 flat angles P-C4'-P energy: -74.056 tors. eta vs tors. theta energy: -42.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -3268.121585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3268.121585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3268.121585 (E_RNA) where: Base-Base interactions energy: -2302.284 where: short stacking energy: -954.804 Base-Backbone interact. energy: -5.825 local terms energy: -960.012527 where: bonds (distance) C4'-P energy: -172.389 bonds (distance) P-C4' energy: -167.467 flat angles C4'-P-C4' energy: -203.232 flat angles P-C4'-P energy: -153.524 tors. eta vs tors. theta energy: -263.401 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: 1 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -3117.115555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.115555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.115555 (E_RNA) where: Base-Base interactions energy: -2176.194 where: short stacking energy: -920.710 Base-Backbone interact. energy: 1.001 local terms energy: -941.922693 where: bonds (distance) C4'-P energy: -173.815 bonds (distance) P-C4' energy: -166.390 flat angles C4'-P-C4' energy: -193.568 flat angles P-C4'-P energy: -142.069 tors. eta vs tors. theta energy: -266.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -3037.913302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.913302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.913302 (E_RNA) where: Base-Base interactions energy: -2122.925 where: short stacking energy: -878.764 Base-Backbone interact. energy: -4.056 local terms energy: -910.932588 where: bonds (distance) C4'-P energy: -163.793 bonds (distance) P-C4' energy: -150.100 flat angles C4'-P-C4' energy: -208.176 flat angles P-C4'-P energy: -116.492 tors. eta vs tors. theta energy: -272.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -2855.271188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.271188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.271188 (E_RNA) where: Base-Base interactions energy: -1979.352 where: short stacking energy: -844.492 Base-Backbone interact. energy: -0.212 local terms energy: -875.706557 where: bonds (distance) C4'-P energy: -157.841 bonds (distance) P-C4' energy: -168.256 flat angles C4'-P-C4' energy: -185.223 flat angles P-C4'-P energy: -121.238 tors. eta vs tors. theta energy: -243.149 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: 296 Temperature: 1.100000 Total energy: -2608.535204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.535204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.535204 (E_RNA) where: Base-Base interactions energy: -1812.052 where: short stacking energy: -789.682 Base-Backbone interact. energy: -4.415 local terms energy: -792.068252 where: bonds (distance) C4'-P energy: -151.023 bonds (distance) P-C4' energy: -148.787 flat angles C4'-P-C4' energy: -192.232 flat angles P-C4'-P energy: -93.558 tors. eta vs tors. theta energy: -206.468 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: 296 Temperature: 1.150000 Total energy: -2537.382761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.382761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.382761 (E_RNA) where: Base-Base interactions energy: -1735.764 where: short stacking energy: -739.512 Base-Backbone interact. energy: 1.490 local terms energy: -803.108246 where: bonds (distance) C4'-P energy: -164.995 bonds (distance) P-C4' energy: -163.971 flat angles C4'-P-C4' energy: -165.543 flat angles P-C4'-P energy: -118.758 tors. eta vs tors. theta energy: -189.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -2341.669542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.669542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.669542 (E_RNA) where: Base-Base interactions energy: -1598.092 where: short stacking energy: -686.651 Base-Backbone interact. energy: 0.087 local terms energy: -743.664394 where: bonds (distance) C4'-P energy: -118.490 bonds (distance) P-C4' energy: -165.949 flat angles C4'-P-C4' energy: -156.143 flat angles P-C4'-P energy: -116.121 tors. eta vs tors. theta energy: -186.960 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: 10 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1957.978545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1957.978545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1957.978545 (E_RNA) where: Base-Base interactions energy: -1291.133 where: short stacking energy: -549.525 Base-Backbone interact. energy: 1.886 local terms energy: -668.731429 where: bonds (distance) C4'-P energy: -147.977 bonds (distance) P-C4' energy: -145.335 flat angles C4'-P-C4' energy: -161.274 flat angles P-C4'-P energy: -98.976 tors. eta vs tors. theta energy: -115.170 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: 9 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -1660.694539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.694539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.694539 (E_RNA) where: Base-Base interactions energy: -1051.991 where: short stacking energy: -454.819 Base-Backbone interact. energy: 4.881 local terms energy: -613.584846 where: bonds (distance) C4'-P energy: -165.444 bonds (distance) P-C4' energy: -162.788 flat angles C4'-P-C4' energy: -132.212 flat angles P-C4'-P energy: -92.411 tors. eta vs tors. theta energy: -60.730 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: 5 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -1328.178450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.178450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.178450 (E_RNA) where: Base-Base interactions energy: -840.626 where: short stacking energy: -408.459 Base-Backbone interact. energy: 8.088 local terms energy: -495.639919 where: bonds (distance) C4'-P energy: -130.148 bonds (distance) P-C4' energy: -128.172 flat angles C4'-P-C4' energy: -115.621 flat angles P-C4'-P energy: -88.621 tors. eta vs tors. theta energy: -33.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -3273.146147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.146147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.146147 (E_RNA) where: Base-Base interactions energy: -2301.497 where: short stacking energy: -948.434 Base-Backbone interact. energy: -4.714 local terms energy: -966.935344 where: bonds (distance) C4'-P energy: -185.155 bonds (distance) P-C4' energy: -176.960 flat angles C4'-P-C4' energy: -205.204 flat angles P-C4'-P energy: -131.538 tors. eta vs tors. theta energy: -268.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -3158.628938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.628938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.628938 (E_RNA) where: Base-Base interactions energy: -2217.089 where: short stacking energy: -931.489 Base-Backbone interact. energy: -3.218 local terms energy: -938.322758 where: bonds (distance) C4'-P energy: -162.185 bonds (distance) P-C4' energy: -169.467 flat angles C4'-P-C4' energy: -213.690 flat angles P-C4'-P energy: -136.699 tors. eta vs tors. theta energy: -256.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -2973.999203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2973.999203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2973.999203 (E_RNA) where: Base-Base interactions energy: -2076.747 where: short stacking energy: -889.629 Base-Backbone interact. energy: 0.514 local terms energy: -897.766759 where: bonds (distance) C4'-P energy: -155.111 bonds (distance) P-C4' energy: -175.540 flat angles C4'-P-C4' energy: -190.987 flat angles P-C4'-P energy: -120.225 tors. eta vs tors. theta energy: -255.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -2823.854021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2823.854021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2823.854021 (E_RNA) where: Base-Base interactions energy: -1967.081 where: short stacking energy: -846.846 Base-Backbone interact. energy: -1.790 local terms energy: -854.983562 where: bonds (distance) C4'-P energy: -166.321 bonds (distance) P-C4' energy: -144.266 flat angles C4'-P-C4' energy: -180.808 flat angles P-C4'-P energy: -125.086 tors. eta vs tors. theta energy: -238.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -2611.082600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.082600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.082600 (E_RNA) where: Base-Base interactions energy: -1771.005 where: short stacking energy: -769.591 Base-Backbone interact. energy: -0.120 local terms energy: -839.957130 where: bonds (distance) C4'-P energy: -150.672 bonds (distance) P-C4' energy: -162.161 flat angles C4'-P-C4' energy: -176.753 flat angles P-C4'-P energy: -129.924 tors. eta vs tors. theta energy: -220.447 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: 6, replica: 6 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -2564.383871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.383871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.383871 (E_RNA) where: Base-Base interactions energy: -1757.149 where: short stacking energy: -749.749 Base-Backbone interact. energy: 0.201 local terms energy: -807.436269 where: bonds (distance) C4'-P energy: -153.732 bonds (distance) P-C4' energy: -156.945 flat angles C4'-P-C4' energy: -169.632 flat angles P-C4'-P energy: -114.257 tors. eta vs tors. theta energy: -212.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -2437.409731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2437.409731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2437.409731 (E_RNA) where: Base-Base interactions energy: -1670.752 where: short stacking energy: -711.173 Base-Backbone interact. energy: 0.418 local terms energy: -767.074878 where: bonds (distance) C4'-P energy: -154.063 bonds (distance) P-C4' energy: -159.393 flat angles C4'-P-C4' energy: -157.540 flat angles P-C4'-P energy: -106.255 tors. eta vs tors. theta energy: -189.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1939.430519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.430519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.430519 (E_RNA) where: Base-Base interactions energy: -1274.082 where: short stacking energy: -578.303 Base-Backbone interact. energy: 1.455 local terms energy: -666.803506 where: bonds (distance) C4'-P energy: -164.573 bonds (distance) P-C4' energy: -133.572 flat angles C4'-P-C4' energy: -165.492 flat angles P-C4'-P energy: -98.895 tors. eta vs tors. theta energy: -104.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -1630.156898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.156898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.156898 (E_RNA) where: Base-Base interactions energy: -1015.630 where: short stacking energy: -442.075 Base-Backbone interact. energy: -2.299 local terms energy: -612.227557 where: bonds (distance) C4'-P energy: -134.545 bonds (distance) P-C4' energy: -161.587 flat angles C4'-P-C4' energy: -141.577 flat angles P-C4'-P energy: -97.952 tors. eta vs tors. theta energy: -76.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -1334.992041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.992041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.992041 (E_RNA) where: Base-Base interactions energy: -797.444 where: short stacking energy: -367.386 Base-Backbone interact. energy: 0.408 local terms energy: -537.955584 where: bonds (distance) C4'-P energy: -136.412 bonds (distance) P-C4' energy: -136.656 flat angles C4'-P-C4' energy: -147.831 flat angles P-C4'-P energy: -76.553 tors. eta vs tors. theta energy: -40.503 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: 2 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -3279.327763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.327763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.327763 (E_RNA) where: Base-Base interactions energy: -2285.298 where: short stacking energy: -962.976 Base-Backbone interact. energy: -3.412 local terms energy: -990.618080 where: bonds (distance) C4'-P energy: -179.245 bonds (distance) P-C4' energy: -172.246 flat angles C4'-P-C4' energy: -210.566 flat angles P-C4'-P energy: -156.332 tors. eta vs tors. theta energy: -272.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -3123.056972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.056972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.056972 (E_RNA) where: Base-Base interactions energy: -2174.759 where: short stacking energy: -906.501 Base-Backbone interact. energy: -4.191 local terms energy: -944.107582 where: bonds (distance) C4'-P energy: -155.594 bonds (distance) P-C4' energy: -187.725 flat angles C4'-P-C4' energy: -199.362 flat angles P-C4'-P energy: -146.325 tors. eta vs tors. theta energy: -255.101 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: 7 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -2993.334544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2993.334544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2993.334544 (E_RNA) where: Base-Base interactions energy: -2089.389 where: short stacking energy: -866.922 Base-Backbone interact. energy: 2.689 local terms energy: -906.633982 where: bonds (distance) C4'-P energy: -177.205 bonds (distance) P-C4' energy: -159.765 flat angles C4'-P-C4' energy: -202.592 flat angles P-C4'-P energy: -111.366 tors. eta vs tors. theta energy: -255.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -2825.131671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.131671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.131671 (E_RNA) where: Base-Base interactions energy: -1987.439 where: short stacking energy: -823.390 Base-Backbone interact. energy: 0.422 local terms energy: -838.115252 where: bonds (distance) C4'-P energy: -170.551 bonds (distance) P-C4' energy: -171.865 flat angles C4'-P-C4' energy: -165.959 flat angles P-C4'-P energy: -106.050 tors. eta vs tors. theta energy: -223.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -2620.945731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.945731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.945731 (E_RNA) where: Base-Base interactions energy: -1814.939 where: short stacking energy: -761.844 Base-Backbone interact. energy: 1.025 local terms energy: -807.032517 where: bonds (distance) C4'-P energy: -132.068 bonds (distance) P-C4' energy: -165.279 flat angles C4'-P-C4' energy: -180.326 flat angles P-C4'-P energy: -123.064 tors. eta vs tors. theta energy: -206.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -2587.828727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.828727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.828727 (E_RNA) where: Base-Base interactions energy: -1794.711 where: short stacking energy: -785.563 Base-Backbone interact. energy: -3.596 local terms energy: -789.521126 where: bonds (distance) C4'-P energy: -157.576 bonds (distance) P-C4' energy: -151.714 flat angles C4'-P-C4' energy: -163.006 flat angles P-C4'-P energy: -93.079 tors. eta vs tors. theta energy: -224.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -2489.248613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.248613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.248613 (E_RNA) where: Base-Base interactions energy: -1721.051 where: short stacking energy: -721.804 Base-Backbone interact. energy: -2.810 local terms energy: -765.387873 where: bonds (distance) C4'-P energy: -159.114 bonds (distance) P-C4' energy: -163.498 flat angles C4'-P-C4' energy: -171.694 flat angles P-C4'-P energy: -90.995 tors. eta vs tors. theta energy: -180.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1941.116896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1941.116896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1941.116896 (E_RNA) where: Base-Base interactions energy: -1309.954 where: short stacking energy: -556.945 Base-Backbone interact. energy: 0.923 local terms energy: -632.086184 where: bonds (distance) C4'-P energy: -130.433 bonds (distance) P-C4' energy: -140.180 flat angles C4'-P-C4' energy: -157.940 flat angles P-C4'-P energy: -91.630 tors. eta vs tors. theta energy: -111.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -1617.165860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.165860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.165860 (E_RNA) where: Base-Base interactions energy: -1013.909 where: short stacking energy: -483.461 Base-Backbone interact. energy: 2.686 local terms energy: -605.943368 where: bonds (distance) C4'-P energy: -141.311 bonds (distance) P-C4' energy: -152.276 flat angles C4'-P-C4' energy: -145.882 flat angles P-C4'-P energy: -90.229 tors. eta vs tors. theta energy: -76.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -1321.742476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.742476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.742476 (E_RNA) where: Base-Base interactions energy: -760.184 where: short stacking energy: -348.566 Base-Backbone interact. energy: 11.764 local terms energy: -573.322587 where: bonds (distance) C4'-P energy: -159.287 bonds (distance) P-C4' energy: -161.580 flat angles C4'-P-C4' energy: -148.030 flat angles P-C4'-P energy: -59.405 tors. eta vs tors. theta energy: -45.020 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: 2 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -3281.646023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3281.646023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3281.646023 (E_RNA) where: Base-Base interactions energy: -2302.662 where: short stacking energy: -953.573 Base-Backbone interact. energy: -2.656 local terms energy: -976.328015 where: bonds (distance) C4'-P energy: -169.897 bonds (distance) P-C4' energy: -174.881 flat angles C4'-P-C4' energy: -210.360 flat angles P-C4'-P energy: -144.241 tors. eta vs tors. theta energy: -276.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -3104.294182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.294182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.294182 (E_RNA) where: Base-Base interactions energy: -2153.106 where: short stacking energy: -934.269 Base-Backbone interact. energy: -0.475 local terms energy: -950.712491 where: bonds (distance) C4'-P energy: -179.957 bonds (distance) P-C4' energy: -176.130 flat angles C4'-P-C4' energy: -202.097 flat angles P-C4'-P energy: -135.218 tors. eta vs tors. theta energy: -257.310 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: 7 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -3029.054079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.054079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.054079 (E_RNA) where: Base-Base interactions energy: -2071.242 where: short stacking energy: -897.264 Base-Backbone interact. energy: -2.213 local terms energy: -955.599244 where: bonds (distance) C4'-P energy: -161.874 bonds (distance) P-C4' energy: -187.573 flat angles C4'-P-C4' energy: -212.917 flat angles P-C4'-P energy: -136.243 tors. eta vs tors. theta energy: -256.993 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: 8 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -2813.353746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.353746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.353746 (E_RNA) where: Base-Base interactions energy: -1962.306 where: short stacking energy: -816.671 Base-Backbone interact. energy: -3.606 local terms energy: -847.441938 where: bonds (distance) C4'-P energy: -144.981 bonds (distance) P-C4' energy: -168.593 flat angles C4'-P-C4' energy: -181.143 flat angles P-C4'-P energy: -126.004 tors. eta vs tors. theta energy: -226.721 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: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -2663.169240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.169240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.169240 (E_RNA) where: Base-Base interactions energy: -1814.883 where: short stacking energy: -765.475 Base-Backbone interact. energy: -2.723 local terms energy: -845.563572 where: bonds (distance) C4'-P energy: -158.474 bonds (distance) P-C4' energy: -154.514 flat angles C4'-P-C4' energy: -189.952 flat angles P-C4'-P energy: -124.119 tors. eta vs tors. theta energy: -218.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -2580.564390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2580.564390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2580.564390 (E_RNA) where: Base-Base interactions energy: -1791.175 where: short stacking energy: -762.119 Base-Backbone interact. energy: -0.019 local terms energy: -789.369765 where: bonds (distance) C4'-P energy: -148.460 bonds (distance) P-C4' energy: -154.233 flat angles C4'-P-C4' energy: -159.794 flat angles P-C4'-P energy: -124.496 tors. eta vs tors. theta energy: -202.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -2445.612159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2445.612159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2445.612159 (E_RNA) where: Base-Base interactions energy: -1659.014 where: short stacking energy: -706.774 Base-Backbone interact. energy: -3.221 local terms energy: -783.377593 where: bonds (distance) C4'-P energy: -154.321 bonds (distance) P-C4' energy: -162.053 flat angles C4'-P-C4' energy: -160.983 flat angles P-C4'-P energy: -101.067 tors. eta vs tors. theta energy: -204.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -2023.247046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.247046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.247046 (E_RNA) where: Base-Base interactions energy: -1352.526 where: short stacking energy: -572.031 Base-Backbone interact. energy: 3.018 local terms energy: -673.738541 where: bonds (distance) C4'-P energy: -146.738 bonds (distance) P-C4' energy: -133.961 flat angles C4'-P-C4' energy: -157.367 flat angles P-C4'-P energy: -115.858 tors. eta vs tors. theta energy: -119.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -1613.878587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.878587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.878587 (E_RNA) where: Base-Base interactions energy: -1034.591 where: short stacking energy: -477.903 Base-Backbone interact. energy: -2.394 local terms energy: -576.893876 where: bonds (distance) C4'-P energy: -130.877 bonds (distance) P-C4' energy: -141.274 flat angles C4'-P-C4' energy: -149.635 flat angles P-C4'-P energy: -86.155 tors. eta vs tors. theta energy: -68.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -1354.617553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.617553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.617553 (E_RNA) where: Base-Base interactions energy: -821.106 where: short stacking energy: -388.686 Base-Backbone interact. energy: -0.862 local terms energy: -532.648898 where: bonds (distance) C4'-P energy: -141.453 bonds (distance) P-C4' energy: -156.421 flat angles C4'-P-C4' energy: -90.737 flat angles P-C4'-P energy: -98.199 tors. eta vs tors. theta energy: -45.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -3258.700430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3258.700430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3258.700430 (E_RNA) where: Base-Base interactions energy: -2291.597 where: short stacking energy: -962.258 Base-Backbone interact. energy: -1.581 local terms energy: -965.522140 where: bonds (distance) C4'-P energy: -172.677 bonds (distance) P-C4' energy: -180.593 flat angles C4'-P-C4' energy: -212.216 flat angles P-C4'-P energy: -127.825 tors. eta vs tors. theta energy: -272.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -3138.403967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.403967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.403967 (E_RNA) where: Base-Base interactions energy: -2199.333 where: short stacking energy: -924.825 Base-Backbone interact. energy: -3.004 local terms energy: -936.066995 where: bonds (distance) C4'-P energy: -167.426 bonds (distance) P-C4' energy: -177.720 flat angles C4'-P-C4' energy: -193.909 flat angles P-C4'-P energy: -127.386 tors. eta vs tors. theta energy: -269.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -3053.073833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.073833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.073833 (E_RNA) where: Base-Base interactions energy: -2138.277 where: short stacking energy: -885.315 Base-Backbone interact. energy: 5.416 local terms energy: -920.213186 where: bonds (distance) C4'-P energy: -150.967 bonds (distance) P-C4' energy: -191.705 flat angles C4'-P-C4' energy: -198.155 flat angles P-C4'-P energy: -125.943 tors. eta vs tors. theta energy: -253.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -2837.796112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2837.796112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2837.796112 (E_RNA) where: Base-Base interactions energy: -1962.233 where: short stacking energy: -799.408 Base-Backbone interact. energy: -6.989 local terms energy: -868.573699 where: bonds (distance) C4'-P energy: -170.926 bonds (distance) P-C4' energy: -171.983 flat angles C4'-P-C4' energy: -191.650 flat angles P-C4'-P energy: -113.056 tors. eta vs tors. theta energy: -220.958 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: 300 Temperature: 1.100000 Total energy: -2769.952111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.952111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.952111 (E_RNA) where: Base-Base interactions energy: -1880.209 where: short stacking energy: -791.172 Base-Backbone interact. energy: 0.322 local terms energy: -890.064845 where: bonds (distance) C4'-P energy: -163.420 bonds (distance) P-C4' energy: -180.540 flat angles C4'-P-C4' energy: -198.752 flat angles P-C4'-P energy: -111.783 tors. eta vs tors. theta energy: -235.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -2587.165105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2587.165105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2587.165105 (E_RNA) where: Base-Base interactions energy: -1782.987 where: short stacking energy: -777.926 Base-Backbone interact. energy: 3.998 local terms energy: -808.175802 where: bonds (distance) C4'-P energy: -146.947 bonds (distance) P-C4' energy: -162.851 flat angles C4'-P-C4' energy: -168.414 flat angles P-C4'-P energy: -128.806 tors. eta vs tors. theta energy: -201.158 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: 3 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -2355.690691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2355.690691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2355.690691 (E_RNA) where: Base-Base interactions energy: -1602.621 where: short stacking energy: -713.998 Base-Backbone interact. energy: 0.795 local terms energy: -753.864409 where: bonds (distance) C4'-P energy: -142.538 bonds (distance) P-C4' energy: -147.322 flat angles C4'-P-C4' energy: -171.047 flat angles P-C4'-P energy: -103.158 tors. eta vs tors. theta energy: -189.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -2083.747883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2083.747883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2083.747883 (E_RNA) where: Base-Base interactions energy: -1410.010 where: short stacking energy: -599.744 Base-Backbone interact. energy: 7.790 local terms energy: -681.527630 where: bonds (distance) C4'-P energy: -144.433 bonds (distance) P-C4' energy: -149.819 flat angles C4'-P-C4' energy: -165.942 flat angles P-C4'-P energy: -92.589 tors. eta vs tors. theta energy: -128.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -1641.033067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.033067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.033067 (E_RNA) where: Base-Base interactions energy: -1014.774 where: short stacking energy: -462.893 Base-Backbone interact. energy: -2.444 local terms energy: -623.814713 where: bonds (distance) C4'-P energy: -128.456 bonds (distance) P-C4' energy: -151.386 flat angles C4'-P-C4' energy: -147.424 flat angles P-C4'-P energy: -110.915 tors. eta vs tors. theta energy: -85.634 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: 5 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -1321.673233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.673233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.673233 (E_RNA) where: Base-Base interactions energy: -810.924 where: short stacking energy: -406.555 Base-Backbone interact. energy: -3.288 local terms energy: -507.461351 where: bonds (distance) C4'-P energy: -133.093 bonds (distance) P-C4' energy: -135.226 flat angles C4'-P-C4' energy: -126.571 flat angles P-C4'-P energy: -71.657 tors. eta vs tors. theta energy: -40.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -3296.041649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.041649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.041649 (E_RNA) where: Base-Base interactions energy: -2289.908 where: short stacking energy: -948.633 Base-Backbone interact. energy: -3.926 local terms energy: -1002.207714 where: bonds (distance) C4'-P energy: -180.002 bonds (distance) P-C4' energy: -177.080 flat angles C4'-P-C4' energy: -220.415 flat angles P-C4'-P energy: -143.626 tors. eta vs tors. theta energy: -281.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -3128.070768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.070768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.070768 (E_RNA) where: Base-Base interactions energy: -2180.454 where: short stacking energy: -951.570 Base-Backbone interact. energy: -0.969 local terms energy: -946.648606 where: bonds (distance) C4'-P energy: -182.567 bonds (distance) P-C4' energy: -173.374 flat angles C4'-P-C4' energy: -202.962 flat angles P-C4'-P energy: -124.907 tors. eta vs tors. theta energy: -262.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -3043.967539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3043.967539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3043.967539 (E_RNA) where: Base-Base interactions energy: -2119.931 where: short stacking energy: -894.375 Base-Backbone interact. energy: -4.599 local terms energy: -919.437535 where: bonds (distance) C4'-P energy: -151.353 bonds (distance) P-C4' energy: -158.857 flat angles C4'-P-C4' energy: -199.678 flat angles P-C4'-P energy: -148.260 tors. eta vs tors. theta energy: -261.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -2786.785758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.785758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.785758 (E_RNA) where: Base-Base interactions energy: -1930.367 where: short stacking energy: -807.321 Base-Backbone interact. energy: -4.753 local terms energy: -851.665805 where: bonds (distance) C4'-P energy: -168.417 bonds (distance) P-C4' energy: -150.970 flat angles C4'-P-C4' energy: -186.019 flat angles P-C4'-P energy: -113.069 tors. eta vs tors. theta energy: -233.192 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: 4 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -2712.044813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.044813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.044813 (E_RNA) where: Base-Base interactions energy: -1832.404 where: short stacking energy: -776.640 Base-Backbone interact. energy: -3.757 local terms energy: -875.883369 where: bonds (distance) C4'-P energy: -154.076 bonds (distance) P-C4' energy: -184.087 flat angles C4'-P-C4' energy: -179.835 flat angles P-C4'-P energy: -125.863 tors. eta vs tors. theta energy: -232.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -2607.485713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2607.485713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2607.485713 (E_RNA) where: Base-Base interactions energy: -1807.949 where: short stacking energy: -773.405 Base-Backbone interact. energy: -0.113 local terms energy: -799.423250 where: bonds (distance) C4'-P energy: -147.742 bonds (distance) P-C4' energy: -150.875 flat angles C4'-P-C4' energy: -171.961 flat angles P-C4'-P energy: -127.209 tors. eta vs tors. theta energy: -201.635 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: 3 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -2384.090355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2384.090355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2384.090355 (E_RNA) where: Base-Base interactions energy: -1618.157 where: short stacking energy: -718.318 Base-Backbone interact. energy: 2.438 local terms energy: -768.370743 where: bonds (distance) C4'-P energy: -140.485 bonds (distance) P-C4' energy: -138.025 flat angles C4'-P-C4' energy: -171.041 flat angles P-C4'-P energy: -120.883 tors. eta vs tors. theta energy: -197.936 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: 301 Temperature: 1.250000 Total energy: -2089.365169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.365169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.365169 (E_RNA) where: Base-Base interactions energy: -1396.725 where: short stacking energy: -580.234 Base-Backbone interact. energy: -2.034 local terms energy: -690.605984 where: bonds (distance) C4'-P energy: -149.225 bonds (distance) P-C4' energy: -137.336 flat angles C4'-P-C4' energy: -169.702 flat angles P-C4'-P energy: -97.441 tors. eta vs tors. theta energy: -136.902 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: 9 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -1642.979987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.979987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.979987 (E_RNA) where: Base-Base interactions energy: -1034.187 where: short stacking energy: -466.553 Base-Backbone interact. energy: -2.259 local terms energy: -606.533683 where: bonds (distance) C4'-P energy: -140.120 bonds (distance) P-C4' energy: -162.539 flat angles C4'-P-C4' energy: -142.372 flat angles P-C4'-P energy: -81.236 tors. eta vs tors. theta energy: -80.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -1384.015127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.015127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.015127 (E_RNA) where: Base-Base interactions energy: -825.964 where: short stacking energy: -368.086 Base-Backbone interact. energy: 2.904 local terms energy: -560.955240 where: bonds (distance) C4'-P energy: -149.482 bonds (distance) P-C4' energy: -150.596 flat angles C4'-P-C4' energy: -151.221 flat angles P-C4'-P energy: -77.553 tors. eta vs tors. theta energy: -32.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -3282.540235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3282.540235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3282.540235 (E_RNA) where: Base-Base interactions energy: -2293.077 where: short stacking energy: -954.082 Base-Backbone interact. energy: -2.313 local terms energy: -987.149732 where: bonds (distance) C4'-P energy: -182.772 bonds (distance) P-C4' energy: -194.337 flat angles C4'-P-C4' energy: -204.562 flat angles P-C4'-P energy: -127.972 tors. eta vs tors. theta energy: -277.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -3152.548728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.548728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.548728 (E_RNA) where: Base-Base interactions energy: -2176.681 where: short stacking energy: -969.436 Base-Backbone interact. energy: 3.906 local terms energy: -979.772975 where: bonds (distance) C4'-P energy: -155.386 bonds (distance) P-C4' energy: -185.160 flat angles C4'-P-C4' energy: -212.764 flat angles P-C4'-P energy: -137.276 tors. eta vs tors. theta energy: -289.187 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: 7 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -3022.744838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.744838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.744838 (E_RNA) where: Base-Base interactions energy: -2093.799 where: short stacking energy: -895.360 Base-Backbone interact. energy: 12.051 local terms energy: -940.996645 where: bonds (distance) C4'-P energy: -169.219 bonds (distance) P-C4' energy: -175.005 flat angles C4'-P-C4' energy: -189.871 flat angles P-C4'-P energy: -136.954 tors. eta vs tors. theta energy: -269.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -2849.158801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2849.158801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2849.158801 (E_RNA) where: Base-Base interactions energy: -1961.866 where: short stacking energy: -856.948 Base-Backbone interact. energy: -4.097 local terms energy: -883.195723 where: bonds (distance) C4'-P energy: -164.270 bonds (distance) P-C4' energy: -163.214 flat angles C4'-P-C4' energy: -191.097 flat angles P-C4'-P energy: -116.828 tors. eta vs tors. theta energy: -247.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -2703.024466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.024466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.024466 (E_RNA) where: Base-Base interactions energy: -1881.617 where: short stacking energy: -768.408 Base-Backbone interact. energy: -3.611 local terms energy: -817.796194 where: bonds (distance) C4'-P energy: -152.446 bonds (distance) P-C4' energy: -145.267 flat angles C4'-P-C4' energy: -186.084 flat angles P-C4'-P energy: -119.839 tors. eta vs tors. theta energy: -214.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -2542.180618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2542.180618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2542.180618 (E_RNA) where: Base-Base interactions energy: -1739.314 where: short stacking energy: -738.982 Base-Backbone interact. energy: -0.395 local terms energy: -802.471373 where: bonds (distance) C4'-P energy: -149.999 bonds (distance) P-C4' energy: -153.398 flat angles C4'-P-C4' energy: -190.862 flat angles P-C4'-P energy: -118.009 tors. eta vs tors. theta energy: -190.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -2345.648860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2345.648860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2345.648860 (E_RNA) where: Base-Base interactions energy: -1621.642 where: short stacking energy: -668.892 Base-Backbone interact. energy: 0.196 local terms energy: -724.203023 where: bonds (distance) C4'-P energy: -131.072 bonds (distance) P-C4' energy: -166.505 flat angles C4'-P-C4' energy: -177.026 flat angles P-C4'-P energy: -89.788 tors. eta vs tors. theta energy: -159.813 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: 10 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -2133.002686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2133.002686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2133.002686 (E_RNA) where: Base-Base interactions energy: -1418.942 where: short stacking energy: -632.209 Base-Backbone interact. energy: 1.266 local terms energy: -715.327256 where: bonds (distance) C4'-P energy: -149.110 bonds (distance) P-C4' energy: -162.895 flat angles C4'-P-C4' energy: -167.892 flat angles P-C4'-P energy: -90.439 tors. eta vs tors. theta energy: -144.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -1679.958107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.958107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.958107 (E_RNA) where: Base-Base interactions energy: -1097.180 where: short stacking energy: -505.355 Base-Backbone interact. energy: -0.628 local terms energy: -582.149960 where: bonds (distance) C4'-P energy: -140.794 bonds (distance) P-C4' energy: -128.334 flat angles C4'-P-C4' energy: -144.655 flat angles P-C4'-P energy: -81.508 tors. eta vs tors. theta energy: -86.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -1335.219765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.219765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.219765 (E_RNA) where: Base-Base interactions energy: -767.354 where: short stacking energy: -383.640 Base-Backbone interact. energy: -5.330 local terms energy: -562.535745 where: bonds (distance) C4'-P energy: -127.655 bonds (distance) P-C4' energy: -150.972 flat angles C4'-P-C4' energy: -148.608 flat angles P-C4'-P energy: -85.001 tors. eta vs tors. theta energy: -50.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -3271.981764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3271.981764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3271.981764 (E_RNA) where: Base-Base interactions energy: -2303.895 where: short stacking energy: -976.563 Base-Backbone interact. energy: -3.694 local terms energy: -964.392928 where: bonds (distance) C4'-P energy: -176.874 bonds (distance) P-C4' energy: -170.043 flat angles C4'-P-C4' energy: -197.072 flat angles P-C4'-P energy: -143.744 tors. eta vs tors. theta energy: -276.660 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: 2, replica: 1 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -3104.017689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3104.017689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3104.017689 (E_RNA) where: Base-Base interactions energy: -2166.194 where: short stacking energy: -939.894 Base-Backbone interact. energy: -1.560 local terms energy: -936.263674 where: bonds (distance) C4'-P energy: -167.555 bonds (distance) P-C4' energy: -175.933 flat angles C4'-P-C4' energy: -206.662 flat angles P-C4'-P energy: -121.952 tors. eta vs tors. theta energy: -264.161 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: 3, replica: 7 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -3049.378247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.378247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.378247 (E_RNA) where: Base-Base interactions energy: -2155.599 where: short stacking energy: -914.021 Base-Backbone interact. energy: -0.989 local terms energy: -892.789653 where: bonds (distance) C4'-P energy: -147.332 bonds (distance) P-C4' energy: -177.265 flat angles C4'-P-C4' energy: -194.196 flat angles P-C4'-P energy: -111.028 tors. eta vs tors. theta energy: -262.969 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: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -2854.399739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.399739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.399739 (E_RNA) where: Base-Base interactions energy: -1964.215 where: short stacking energy: -799.618 Base-Backbone interact. energy: -3.161 local terms energy: -887.023339 where: bonds (distance) C4'-P energy: -148.316 bonds (distance) P-C4' energy: -155.992 flat angles C4'-P-C4' energy: -206.604 flat angles P-C4'-P energy: -131.094 tors. eta vs tors. theta energy: -245.017 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: 5, replica: 4 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -2688.759031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.759031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.759031 (E_RNA) where: Base-Base interactions energy: -1895.984 where: short stacking energy: -806.309 Base-Backbone interact. energy: -2.345 local terms energy: -790.430664 where: bonds (distance) C4'-P energy: -131.733 bonds (distance) P-C4' energy: -154.070 flat angles C4'-P-C4' energy: -178.498 flat angles P-C4'-P energy: -97.685 tors. eta vs tors. theta energy: -228.445 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: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -2579.722685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.722685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.722685 (E_RNA) where: Base-Base interactions energy: -1766.316 where: short stacking energy: -747.244 Base-Backbone interact. energy: -2.608 local terms energy: -810.798694 where: bonds (distance) C4'-P energy: -171.037 bonds (distance) P-C4' energy: -156.770 flat angles C4'-P-C4' energy: -177.914 flat angles P-C4'-P energy: -105.731 tors. eta vs tors. theta energy: -199.346 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: 7, replica: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -2361.560367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2361.560367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2361.560367 (E_RNA) where: Base-Base interactions energy: -1597.509 where: short stacking energy: -674.249 Base-Backbone interact. energy: -0.253 local terms energy: -763.798879 where: bonds (distance) C4'-P energy: -147.232 bonds (distance) P-C4' energy: -174.555 flat angles C4'-P-C4' energy: -166.212 flat angles P-C4'-P energy: -109.879 tors. eta vs tors. theta energy: -165.921 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: 10 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -2060.375185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.375185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.375185 (E_RNA) where: Base-Base interactions energy: -1380.666 where: short stacking energy: -574.228 Base-Backbone interact. energy: 1.569 local terms energy: -681.277455 where: bonds (distance) C4'-P energy: -154.300 bonds (distance) P-C4' energy: -151.546 flat angles C4'-P-C4' energy: -147.899 flat angles P-C4'-P energy: -98.114 tors. eta vs tors. theta energy: -129.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -1648.098873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.098873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.098873 (E_RNA) where: Base-Base interactions energy: -1071.208 where: short stacking energy: -473.201 Base-Backbone interact. energy: 7.590 local terms energy: -584.480777 where: bonds (distance) C4'-P energy: -126.847 bonds (distance) P-C4' energy: -147.805 flat angles C4'-P-C4' energy: -145.722 flat angles P-C4'-P energy: -73.216 tors. eta vs tors. theta energy: -90.891 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: 5 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -1338.160134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.160134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.160134 (E_RNA) where: Base-Base interactions energy: -807.935 where: short stacking energy: -404.951 Base-Backbone interact. energy: 6.632 local terms energy: -536.856895 where: bonds (distance) C4'-P energy: -130.083 bonds (distance) P-C4' energy: -127.883 flat angles C4'-P-C4' energy: -140.597 flat angles P-C4'-P energy: -99.920 tors. eta vs tors. theta energy: -38.374 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: 2 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -3263.486554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.486554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.486554 (E_RNA) where: Base-Base interactions energy: -2312.444 where: short stacking energy: -970.125 Base-Backbone interact. energy: -5.141 local terms energy: -945.901908 where: bonds (distance) C4'-P energy: -165.674 bonds (distance) P-C4' energy: -152.516 flat angles C4'-P-C4' energy: -212.262 flat angles P-C4'-P energy: -147.286 tors. eta vs tors. theta energy: -268.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -3123.530739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.530739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.530739 (E_RNA) where: Base-Base interactions energy: -2175.279 where: short stacking energy: -923.950 Base-Backbone interact. energy: -1.547 local terms energy: -946.704290 where: bonds (distance) C4'-P energy: -189.553 bonds (distance) P-C4' energy: -183.166 flat angles C4'-P-C4' energy: -180.286 flat angles P-C4'-P energy: -126.811 tors. eta vs tors. theta energy: -266.889 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: 3, replica: 7 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -3070.108247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.108247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.108247 (E_RNA) where: Base-Base interactions energy: -2127.231 where: short stacking energy: -893.359 Base-Backbone interact. energy: 0.590 local terms energy: -943.466855 where: bonds (distance) C4'-P energy: -154.519 bonds (distance) P-C4' energy: -172.986 flat angles C4'-P-C4' energy: -205.761 flat angles P-C4'-P energy: -143.654 tors. eta vs tors. theta energy: -266.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -2872.384322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.384322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.384322 (E_RNA) where: Base-Base interactions energy: -2007.093 where: short stacking energy: -883.954 Base-Backbone interact. energy: -0.085 local terms energy: -865.205943 where: bonds (distance) C4'-P energy: -145.679 bonds (distance) P-C4' energy: -151.372 flat angles C4'-P-C4' energy: -194.723 flat angles P-C4'-P energy: -124.935 tors. eta vs tors. theta energy: -248.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -2702.049850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.049850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.049850 (E_RNA) where: Base-Base interactions energy: -1843.187 where: short stacking energy: -795.276 Base-Backbone interact. energy: -4.884 local terms energy: -853.979450 where: bonds (distance) C4'-P energy: -168.307 bonds (distance) P-C4' energy: -159.328 flat angles C4'-P-C4' energy: -167.472 flat angles P-C4'-P energy: -129.295 tors. eta vs tors. theta energy: -229.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -2572.452862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.452862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.452862 (E_RNA) where: Base-Base interactions energy: -1759.851 where: short stacking energy: -765.056 Base-Backbone interact. energy: -1.959 local terms energy: -810.642277 where: bonds (distance) C4'-P energy: -151.462 bonds (distance) P-C4' energy: -166.990 flat angles C4'-P-C4' energy: -169.450 flat angles P-C4'-P energy: -112.280 tors. eta vs tors. theta energy: -210.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -2329.799263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2329.799263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2329.799263 (E_RNA) where: Base-Base interactions energy: -1588.464 where: short stacking energy: -659.875 Base-Backbone interact. energy: 2.081 local terms energy: -743.416293 where: bonds (distance) C4'-P energy: -166.263 bonds (distance) P-C4' energy: -157.056 flat angles C4'-P-C4' energy: -157.671 flat angles P-C4'-P energy: -93.987 tors. eta vs tors. theta energy: -168.439 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: 10 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -2031.404404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2031.404404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2031.404404 (E_RNA) where: Base-Base interactions energy: -1388.439 where: short stacking energy: -586.205 Base-Backbone interact. energy: 1.666 local terms energy: -644.631238 where: bonds (distance) C4'-P energy: -141.825 bonds (distance) P-C4' energy: -130.225 flat angles C4'-P-C4' energy: -145.822 flat angles P-C4'-P energy: -104.430 tors. eta vs tors. theta energy: -122.330 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: 9 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -1597.699867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.699867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.699867 (E_RNA) where: Base-Base interactions energy: -1012.354 where: short stacking energy: -453.264 Base-Backbone interact. energy: -1.122 local terms energy: -584.223997 where: bonds (distance) C4'-P energy: -130.309 bonds (distance) P-C4' energy: -152.497 flat angles C4'-P-C4' energy: -127.122 flat angles P-C4'-P energy: -83.537 tors. eta vs tors. theta energy: -90.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -1378.946583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.946583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.946583 (E_RNA) where: Base-Base interactions energy: -803.555 where: short stacking energy: -374.174 Base-Backbone interact. energy: -5.758 local terms energy: -569.633988 where: bonds (distance) C4'-P energy: -169.755 bonds (distance) P-C4' energy: -160.050 flat angles C4'-P-C4' energy: -138.085 flat angles P-C4'-P energy: -72.578 tors. eta vs tors. theta energy: -29.166 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: 2 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -3256.285541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.285541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.285541 (E_RNA) where: Base-Base interactions energy: -2274.842 where: short stacking energy: -949.791 Base-Backbone interact. energy: -4.765 local terms energy: -976.677907 where: bonds (distance) C4'-P energy: -186.601 bonds (distance) P-C4' energy: -166.026 flat angles C4'-P-C4' energy: -205.235 flat angles P-C4'-P energy: -145.103 tors. eta vs tors. theta energy: -273.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -3115.266751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3115.266751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3115.266751 (E_RNA) where: Base-Base interactions energy: -2152.710 where: short stacking energy: -931.268 Base-Backbone interact. energy: -4.888 local terms energy: -957.668529 where: bonds (distance) C4'-P energy: -158.660 bonds (distance) P-C4' energy: -189.720 flat angles C4'-P-C4' energy: -206.336 flat angles P-C4'-P energy: -143.330 tors. eta vs tors. theta energy: -259.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -3029.486776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3029.486776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3029.486776 (E_RNA) where: Base-Base interactions energy: -2130.798 where: short stacking energy: -914.441 Base-Backbone interact. energy: 2.670 local terms energy: -901.357970 where: bonds (distance) C4'-P energy: -144.397 bonds (distance) P-C4' energy: -172.864 flat angles C4'-P-C4' energy: -200.505 flat angles P-C4'-P energy: -129.234 tors. eta vs tors. theta energy: -254.358 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: 8 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -2845.473354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.473354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.473354 (E_RNA) where: Base-Base interactions energy: -1955.300 where: short stacking energy: -835.418 Base-Backbone interact. energy: -1.343 local terms energy: -888.830637 where: bonds (distance) C4'-P energy: -152.649 bonds (distance) P-C4' energy: -169.338 flat angles C4'-P-C4' energy: -191.912 flat angles P-C4'-P energy: -140.082 tors. eta vs tors. theta energy: -234.849 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: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -2725.989010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.989010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.989010 (E_RNA) where: Base-Base interactions energy: -1876.328 where: short stacking energy: -787.091 Base-Backbone interact. energy: -2.182 local terms energy: -847.478891 where: bonds (distance) C4'-P energy: -161.270 bonds (distance) P-C4' energy: -150.751 flat angles C4'-P-C4' energy: -180.527 flat angles P-C4'-P energy: -131.051 tors. eta vs tors. theta energy: -223.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -2546.011995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2546.011995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2546.011995 (E_RNA) where: Base-Base interactions energy: -1742.298 where: short stacking energy: -762.220 Base-Backbone interact. energy: 0.669 local terms energy: -804.382980 where: bonds (distance) C4'-P energy: -150.157 bonds (distance) P-C4' energy: -166.368 flat angles C4'-P-C4' energy: -191.912 flat angles P-C4'-P energy: -98.426 tors. eta vs tors. theta energy: -197.520 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: 3 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -2386.338774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.338774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.338774 (E_RNA) where: Base-Base interactions energy: -1628.786 where: short stacking energy: -701.905 Base-Backbone interact. energy: -3.969 local terms energy: -753.583726 where: bonds (distance) C4'-P energy: -122.494 bonds (distance) P-C4' energy: -144.549 flat angles C4'-P-C4' energy: -165.656 flat angles P-C4'-P energy: -101.032 tors. eta vs tors. theta energy: -219.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1996.015492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.015492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.015492 (E_RNA) where: Base-Base interactions energy: -1339.786 where: short stacking energy: -588.893 Base-Backbone interact. energy: 2.160 local terms energy: -658.388893 where: bonds (distance) C4'-P energy: -144.028 bonds (distance) P-C4' energy: -153.959 flat angles C4'-P-C4' energy: -164.338 flat angles P-C4'-P energy: -77.069 tors. eta vs tors. theta energy: -118.995 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: 9, replica: 9 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1671.776519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.776519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.776519 (E_RNA) where: Base-Base interactions energy: -1062.513 where: short stacking energy: -474.898 Base-Backbone interact. energy: 8.585 local terms energy: -617.848570 where: bonds (distance) C4'-P energy: -149.349 bonds (distance) P-C4' energy: -153.361 flat angles C4'-P-C4' energy: -140.507 flat angles P-C4'-P energy: -90.583 tors. eta vs tors. theta energy: -84.049 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: 5 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -1394.313629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.313629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.313629 (E_RNA) where: Base-Base interactions energy: -865.697 where: short stacking energy: -400.330 Base-Backbone interact. energy: 8.713 local terms energy: -537.329383 where: bonds (distance) C4'-P energy: -150.650 bonds (distance) P-C4' energy: -131.733 flat angles C4'-P-C4' energy: -119.736 flat angles P-C4'-P energy: -93.180 tors. eta vs tors. theta energy: -42.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -3263.253998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.253998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.253998 (E_RNA) where: Base-Base interactions energy: -2264.888 where: short stacking energy: -957.403 Base-Backbone interact. energy: -4.164 local terms energy: -994.201675 where: bonds (distance) C4'-P energy: -177.789 bonds (distance) P-C4' energy: -193.341 flat angles C4'-P-C4' energy: -210.223 flat angles P-C4'-P energy: -131.577 tors. eta vs tors. theta energy: -281.272 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: 2, replica: 1 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -3127.634252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.634252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.634252 (E_RNA) where: Base-Base interactions energy: -2189.923 where: short stacking energy: -944.551 Base-Backbone interact. energy: -6.165 local terms energy: -931.546488 where: bonds (distance) C4'-P energy: -176.190 bonds (distance) P-C4' energy: -171.399 flat angles C4'-P-C4' energy: -193.592 flat angles P-C4'-P energy: -127.808 tors. eta vs tors. theta energy: -262.557 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: 7 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -3000.734179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.734179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.734179 (E_RNA) where: Base-Base interactions energy: -2105.111 where: short stacking energy: -872.373 Base-Backbone interact. energy: -0.238 local terms energy: -895.385161 where: bonds (distance) C4'-P energy: -169.755 bonds (distance) P-C4' energy: -158.854 flat angles C4'-P-C4' energy: -187.847 flat angles P-C4'-P energy: -135.892 tors. eta vs tors. theta energy: -243.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -2869.832862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.832862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.832862 (E_RNA) where: Base-Base interactions energy: -2012.096 where: short stacking energy: -849.311 Base-Backbone interact. energy: 3.388 local terms energy: -861.125142 where: bonds (distance) C4'-P energy: -151.365 bonds (distance) P-C4' energy: -172.389 flat angles C4'-P-C4' energy: -195.833 flat angles P-C4'-P energy: -118.110 tors. eta vs tors. theta energy: -223.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -2693.123166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.123166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.123166 (E_RNA) where: Base-Base interactions energy: -1849.320 where: short stacking energy: -780.636 Base-Backbone interact. energy: -1.377 local terms energy: -842.426839 where: bonds (distance) C4'-P energy: -157.671 bonds (distance) P-C4' energy: -167.668 flat angles C4'-P-C4' energy: -176.267 flat angles P-C4'-P energy: -114.840 tors. eta vs tors. theta energy: -225.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -2545.193397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.193397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.193397 (E_RNA) where: Base-Base interactions energy: -1758.766 where: short stacking energy: -748.807 Base-Backbone interact. energy: -1.334 local terms energy: -785.092655 where: bonds (distance) C4'-P energy: -156.283 bonds (distance) P-C4' energy: -167.303 flat angles C4'-P-C4' energy: -178.095 flat angles P-C4'-P energy: -104.168 tors. eta vs tors. theta energy: -179.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -2363.627373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2363.627373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2363.627373 (E_RNA) where: Base-Base interactions energy: -1594.474 where: short stacking energy: -709.710 Base-Backbone interact. energy: -0.381 local terms energy: -768.772470 where: bonds (distance) C4'-P energy: -147.632 bonds (distance) P-C4' energy: -167.926 flat angles C4'-P-C4' energy: -169.106 flat angles P-C4'-P energy: -100.591 tors. eta vs tors. theta energy: -183.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -2017.583369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.583369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.583369 (E_RNA) where: Base-Base interactions energy: -1388.568 where: short stacking energy: -585.935 Base-Backbone interact. energy: 3.589 local terms energy: -632.604336 where: bonds (distance) C4'-P energy: -111.496 bonds (distance) P-C4' energy: -148.528 flat angles C4'-P-C4' energy: -145.297 flat angles P-C4'-P energy: -86.758 tors. eta vs tors. theta energy: -140.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -1596.959436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.959436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.959436 (E_RNA) where: Base-Base interactions energy: -1008.391 where: short stacking energy: -473.950 Base-Backbone interact. energy: -4.304 local terms energy: -584.263849 where: bonds (distance) C4'-P energy: -135.871 bonds (distance) P-C4' energy: -152.913 flat angles C4'-P-C4' energy: -147.248 flat angles P-C4'-P energy: -79.513 tors. eta vs tors. theta energy: -68.718 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: 5 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -1352.829533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.829533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.829533 (E_RNA) where: Base-Base interactions energy: -796.047 where: short stacking energy: -373.141 Base-Backbone interact. energy: -0.583 local terms energy: -556.200185 where: bonds (distance) C4'-P energy: -154.269 bonds (distance) P-C4' energy: -167.625 flat angles C4'-P-C4' energy: -122.045 flat angles P-C4'-P energy: -75.044 tors. eta vs tors. theta energy: -37.217 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: 2 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -3310.434967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.434967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.434967 (E_RNA) where: Base-Base interactions energy: -2304.269 where: short stacking energy: -974.848 Base-Backbone interact. energy: -1.041 local terms energy: -1005.125272 where: bonds (distance) C4'-P energy: -187.827 bonds (distance) P-C4' energy: -173.335 flat angles C4'-P-C4' energy: -208.386 flat angles P-C4'-P energy: -143.069 tors. eta vs tors. theta energy: -292.509 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: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -3157.205024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.205024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.205024 (E_RNA) where: Base-Base interactions energy: -2179.048 where: short stacking energy: -913.797 Base-Backbone interact. energy: -3.014 local terms energy: -975.142475 where: bonds (distance) C4'-P energy: -173.314 bonds (distance) P-C4' energy: -178.494 flat angles C4'-P-C4' energy: -198.207 flat angles P-C4'-P energy: -153.797 tors. eta vs tors. theta energy: -271.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -3020.117831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.117831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.117831 (E_RNA) where: Base-Base interactions energy: -2083.686 where: short stacking energy: -871.313 Base-Backbone interact. energy: -4.137 local terms energy: -932.294756 where: bonds (distance) C4'-P energy: -167.148 bonds (distance) P-C4' energy: -180.119 flat angles C4'-P-C4' energy: -206.496 flat angles P-C4'-P energy: -124.201 tors. eta vs tors. theta energy: -254.330 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: 8 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -2854.873509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.873509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.873509 (E_RNA) where: Base-Base interactions energy: -1979.855 where: short stacking energy: -828.305 Base-Backbone interact. energy: 3.406 local terms energy: -878.423748 where: bonds (distance) C4'-P energy: -160.870 bonds (distance) P-C4' energy: -170.329 flat angles C4'-P-C4' energy: -189.500 flat angles P-C4'-P energy: -128.256 tors. eta vs tors. theta energy: -229.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -2659.128121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.128121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.128121 (E_RNA) where: Base-Base interactions energy: -1856.982 where: short stacking energy: -754.743 Base-Backbone interact. energy: -1.603 local terms energy: -800.543183 where: bonds (distance) C4'-P energy: -158.811 bonds (distance) P-C4' energy: -135.846 flat angles C4'-P-C4' energy: -183.933 flat angles P-C4'-P energy: -98.301 tors. eta vs tors. theta energy: -223.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -2519.954589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.954589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.954589 (E_RNA) where: Base-Base interactions energy: -1733.037 where: short stacking energy: -770.694 Base-Backbone interact. energy: 2.218 local terms energy: -789.135497 where: bonds (distance) C4'-P energy: -148.313 bonds (distance) P-C4' energy: -156.331 flat angles C4'-P-C4' energy: -187.865 flat angles P-C4'-P energy: -101.287 tors. eta vs tors. theta energy: -195.339 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: 307 Temperature: 1.200000 Total energy: -2334.306746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.306746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.306746 (E_RNA) where: Base-Base interactions energy: -1605.754 where: short stacking energy: -696.719 Base-Backbone interact. energy: -2.433 local terms energy: -726.119347 where: bonds (distance) C4'-P energy: -125.077 bonds (distance) P-C4' energy: -137.376 flat angles C4'-P-C4' energy: -172.284 flat angles P-C4'-P energy: -110.018 tors. eta vs tors. theta energy: -181.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -2035.795499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.795499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.795499 (E_RNA) where: Base-Base interactions energy: -1381.400 where: short stacking energy: -604.016 Base-Backbone interact. energy: -1.731 local terms energy: -652.664316 where: bonds (distance) C4'-P energy: -128.901 bonds (distance) P-C4' energy: -150.554 flat angles C4'-P-C4' energy: -150.013 flat angles P-C4'-P energy: -80.049 tors. eta vs tors. theta energy: -143.148 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: 9 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -1561.863614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.863614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.863614 (E_RNA) where: Base-Base interactions energy: -994.514 where: short stacking energy: -449.893 Base-Backbone interact. energy: -1.307 local terms energy: -566.042713 where: bonds (distance) C4'-P energy: -137.868 bonds (distance) P-C4' energy: -147.350 flat angles C4'-P-C4' energy: -149.824 flat angles P-C4'-P energy: -72.665 tors. eta vs tors. theta energy: -58.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -1358.012138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.012138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.012138 (E_RNA) where: Base-Base interactions energy: -814.097 where: short stacking energy: -375.739 Base-Backbone interact. energy: -0.745 local terms energy: -543.170001 where: bonds (distance) C4'-P energy: -149.375 bonds (distance) P-C4' energy: -133.906 flat angles C4'-P-C4' energy: -138.199 flat angles P-C4'-P energy: -92.693 tors. eta vs tors. theta energy: -28.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -3276.981425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.981425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.981425 (E_RNA) where: Base-Base interactions energy: -2313.651 where: short stacking energy: -961.321 Base-Backbone interact. energy: -5.876 local terms energy: -957.454501 where: bonds (distance) C4'-P energy: -184.748 bonds (distance) P-C4' energy: -164.085 flat angles C4'-P-C4' energy: -191.070 flat angles P-C4'-P energy: -147.384 tors. eta vs tors. theta energy: -270.167 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: 1 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -3150.799749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3150.799749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3150.799749 (E_RNA) where: Base-Base interactions energy: -2179.104 where: short stacking energy: -937.433 Base-Backbone interact. energy: -1.781 local terms energy: -969.914266 where: bonds (distance) C4'-P energy: -176.659 bonds (distance) P-C4' energy: -176.514 flat angles C4'-P-C4' energy: -199.602 flat angles P-C4'-P energy: -137.563 tors. eta vs tors. theta energy: -279.576 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: 3, replica: 7 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -3058.877676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.877676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.877676 (E_RNA) where: Base-Base interactions energy: -2127.687 where: short stacking energy: -888.028 Base-Backbone interact. energy: -2.631 local terms energy: -928.559525 where: bonds (distance) C4'-P energy: -161.533 bonds (distance) P-C4' energy: -166.206 flat angles C4'-P-C4' energy: -204.625 flat angles P-C4'-P energy: -135.477 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: 8 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -2861.738138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.738138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.738138 (E_RNA) where: Base-Base interactions energy: -1984.049 where: short stacking energy: -875.879 Base-Backbone interact. energy: -1.746 local terms energy: -875.943629 where: bonds (distance) C4'-P energy: -161.873 bonds (distance) P-C4' energy: -156.590 flat angles C4'-P-C4' energy: -198.573 flat angles P-C4'-P energy: -121.503 tors. eta vs tors. theta energy: -237.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -2613.474169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.474169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.474169 (E_RNA) where: Base-Base interactions energy: -1777.049 where: short stacking energy: -790.282 Base-Backbone interact. energy: -0.084 local terms energy: -836.341266 where: bonds (distance) C4'-P energy: -154.787 bonds (distance) P-C4' energy: -169.555 flat angles C4'-P-C4' energy: -171.854 flat angles P-C4'-P energy: -126.859 tors. eta vs tors. theta energy: -213.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -2508.893626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.893626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.893626 (E_RNA) where: Base-Base interactions energy: -1677.225 where: short stacking energy: -749.083 Base-Backbone interact. energy: -0.146 local terms energy: -831.522670 where: bonds (distance) C4'-P energy: -166.163 bonds (distance) P-C4' energy: -167.249 flat angles C4'-P-C4' energy: -164.437 flat angles P-C4'-P energy: -112.049 tors. eta vs tors. theta energy: -221.626 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: 3 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -2299.985109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2299.985109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2299.985109 (E_RNA) where: Base-Base interactions energy: -1553.391 where: short stacking energy: -676.589 Base-Backbone interact. energy: -6.107 local terms energy: -740.486233 where: bonds (distance) C4'-P energy: -142.831 bonds (distance) P-C4' energy: -138.506 flat angles C4'-P-C4' energy: -168.694 flat angles P-C4'-P energy: -128.093 tors. eta vs tors. theta energy: -162.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -2007.425847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2007.425847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2007.425847 (E_RNA) where: Base-Base interactions energy: -1356.130 where: short stacking energy: -577.759 Base-Backbone interact. energy: 5.178 local terms energy: -656.474497 where: bonds (distance) C4'-P energy: -135.461 bonds (distance) P-C4' energy: -134.782 flat angles C4'-P-C4' energy: -152.208 flat angles P-C4'-P energy: -95.021 tors. eta vs tors. theta energy: -139.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -1548.917575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.917575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.917575 (E_RNA) where: Base-Base interactions energy: -980.055 where: short stacking energy: -451.143 Base-Backbone interact. energy: -2.014 local terms energy: -566.849329 where: bonds (distance) C4'-P energy: -135.008 bonds (distance) P-C4' energy: -137.153 flat angles C4'-P-C4' energy: -140.327 flat angles P-C4'-P energy: -99.071 tors. eta vs tors. theta energy: -55.289 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: 10, replica: 5 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -1359.930116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.930116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.930116 (E_RNA) where: Base-Base interactions energy: -810.752 where: short stacking energy: -371.041 Base-Backbone interact. energy: 5.247 local terms energy: -554.425363 where: bonds (distance) C4'-P energy: -136.673 bonds (distance) P-C4' energy: -151.014 flat angles C4'-P-C4' energy: -144.349 flat angles P-C4'-P energy: -80.121 tors. eta vs tors. theta energy: -42.269 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: 1, replica: 2 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -3278.870724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3278.870724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3278.870724 (E_RNA) where: Base-Base interactions energy: -2301.277 where: short stacking energy: -947.650 Base-Backbone interact. energy: -3.107 local terms energy: -974.487208 where: bonds (distance) C4'-P energy: -170.137 bonds (distance) P-C4' energy: -183.613 flat angles C4'-P-C4' energy: -212.165 flat angles P-C4'-P energy: -132.863 tors. eta vs tors. theta energy: -275.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -3107.302970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.302970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.302970 (E_RNA) where: Base-Base interactions energy: -2156.833 where: short stacking energy: -924.714 Base-Backbone interact. energy: -1.773 local terms energy: -948.696707 where: bonds (distance) C4'-P energy: -180.090 bonds (distance) P-C4' energy: -175.019 flat angles C4'-P-C4' energy: -194.529 flat angles P-C4'-P energy: -130.206 tors. eta vs tors. theta energy: -268.853 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: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -3037.130351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.130351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.130351 (E_RNA) where: Base-Base interactions energy: -2142.622 where: short stacking energy: -867.151 Base-Backbone interact. energy: -3.057 local terms energy: -891.451234 where: bonds (distance) C4'-P energy: -167.832 bonds (distance) P-C4' energy: -167.259 flat angles C4'-P-C4' energy: -174.889 flat angles P-C4'-P energy: -126.746 tors. eta vs tors. theta energy: -254.724 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: 4, replica: 8 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -2861.291004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.291004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.291004 (E_RNA) where: Base-Base interactions energy: -1988.557 where: short stacking energy: -822.764 Base-Backbone interact. energy: 0.327 local terms energy: -873.061193 where: bonds (distance) C4'-P energy: -164.365 bonds (distance) P-C4' energy: -176.612 flat angles C4'-P-C4' energy: -199.213 flat angles P-C4'-P energy: -114.813 tors. eta vs tors. theta energy: -218.059 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: 4 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -2634.632560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.632560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.632560 (E_RNA) where: Base-Base interactions energy: -1796.092 where: short stacking energy: -760.803 Base-Backbone interact. energy: -2.293 local terms energy: -836.247284 where: bonds (distance) C4'-P energy: -151.324 bonds (distance) P-C4' energy: -166.539 flat angles C4'-P-C4' energy: -193.977 flat angles P-C4'-P energy: -112.794 tors. eta vs tors. theta energy: -211.613 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: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -2508.399772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.399772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.399772 (E_RNA) where: Base-Base interactions energy: -1709.810 where: short stacking energy: -722.024 Base-Backbone interact. energy: 2.365 local terms energy: -800.954493 where: bonds (distance) C4'-P energy: -143.994 bonds (distance) P-C4' energy: -143.612 flat angles C4'-P-C4' energy: -182.860 flat angles P-C4'-P energy: -121.540 tors. eta vs tors. theta energy: -208.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -2362.414796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.414796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.414796 (E_RNA) where: Base-Base interactions energy: -1613.660 where: short stacking energy: -686.959 Base-Backbone interact. energy: -5.688 local terms energy: -743.067274 where: bonds (distance) C4'-P energy: -151.324 bonds (distance) P-C4' energy: -151.497 flat angles C4'-P-C4' energy: -171.085 flat angles P-C4'-P energy: -96.961 tors. eta vs tors. theta energy: -172.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1963.005202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1963.005202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1963.005202 (E_RNA) where: Base-Base interactions energy: -1322.173 where: short stacking energy: -558.522 Base-Backbone interact. energy: 0.812 local terms energy: -641.644604 where: bonds (distance) C4'-P energy: -149.187 bonds (distance) P-C4' energy: -147.856 flat angles C4'-P-C4' energy: -142.961 flat angles P-C4'-P energy: -88.910 tors. eta vs tors. theta energy: -112.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -1544.847017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.847017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.847017 (E_RNA) where: Base-Base interactions energy: -978.047 where: short stacking energy: -465.153 Base-Backbone interact. energy: -1.424 local terms energy: -565.376443 where: bonds (distance) C4'-P energy: -129.064 bonds (distance) P-C4' energy: -156.846 flat angles C4'-P-C4' energy: -138.562 flat angles P-C4'-P energy: -76.407 tors. eta vs tors. theta energy: -64.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -1350.084717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.084717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.084717 (E_RNA) where: Base-Base interactions energy: -819.180 where: short stacking energy: -385.039 Base-Backbone interact. energy: -2.525 local terms energy: -528.379555 where: bonds (distance) C4'-P energy: -129.020 bonds (distance) P-C4' energy: -149.782 flat angles C4'-P-C4' energy: -126.514 flat angles P-C4'-P energy: -87.259 tors. eta vs tors. theta energy: -35.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -3250.927517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.927517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.927517 (E_RNA) where: Base-Base interactions energy: -2288.313 where: short stacking energy: -942.761 Base-Backbone interact. energy: -3.980 local terms energy: -958.634714 where: bonds (distance) C4'-P energy: -164.963 bonds (distance) P-C4' energy: -178.517 flat angles C4'-P-C4' energy: -198.866 flat angles P-C4'-P energy: -143.256 tors. eta vs tors. theta energy: -273.033 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: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -3140.844058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.844058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.844058 (E_RNA) where: Base-Base interactions energy: -2187.228 where: short stacking energy: -937.084 Base-Backbone interact. energy: -2.576 local terms energy: -951.040196 where: bonds (distance) C4'-P energy: -162.044 bonds (distance) P-C4' energy: -186.133 flat angles C4'-P-C4' energy: -193.784 flat angles P-C4'-P energy: -139.875 tors. eta vs tors. theta energy: -269.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -3070.272036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.272036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.272036 (E_RNA) where: Base-Base interactions energy: -2160.339 where: short stacking energy: -870.432 Base-Backbone interact. energy: -5.511 local terms energy: -904.422366 where: bonds (distance) C4'-P energy: -176.077 bonds (distance) P-C4' energy: -168.784 flat angles C4'-P-C4' energy: -196.388 flat angles P-C4'-P energy: -110.538 tors. eta vs tors. theta energy: -252.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -2861.789512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.789512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.789512 (E_RNA) where: Base-Base interactions energy: -1988.124 where: short stacking energy: -854.299 Base-Backbone interact. energy: -0.719 local terms energy: -872.945825 where: bonds (distance) C4'-P energy: -161.981 bonds (distance) P-C4' energy: -154.361 flat angles C4'-P-C4' energy: -182.877 flat angles P-C4'-P energy: -128.938 tors. eta vs tors. theta energy: -244.790 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: 4 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -2604.585886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2604.585886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2604.585886 (E_RNA) where: Base-Base interactions energy: -1773.295 where: short stacking energy: -777.027 Base-Backbone interact. energy: -0.767 local terms energy: -830.523850 where: bonds (distance) C4'-P energy: -158.380 bonds (distance) P-C4' energy: -131.228 flat angles C4'-P-C4' energy: -198.768 flat angles P-C4'-P energy: -114.887 tors. eta vs tors. theta energy: -227.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -2522.003691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.003691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.003691 (E_RNA) where: Base-Base interactions energy: -1743.134 where: short stacking energy: -753.813 Base-Backbone interact. energy: 0.157 local terms energy: -779.026782 where: bonds (distance) C4'-P energy: -140.263 bonds (distance) P-C4' energy: -159.648 flat angles C4'-P-C4' energy: -173.650 flat angles P-C4'-P energy: -106.130 tors. eta vs tors. theta energy: -199.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -2359.541125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.541125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.541125 (E_RNA) where: Base-Base interactions energy: -1595.350 where: short stacking energy: -713.613 Base-Backbone interact. energy: 5.047 local terms energy: -769.238227 where: bonds (distance) C4'-P energy: -117.213 bonds (distance) P-C4' energy: -155.338 flat angles C4'-P-C4' energy: -179.043 flat angles P-C4'-P energy: -129.851 tors. eta vs tors. theta energy: -187.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1939.071907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.071907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.071907 (E_RNA) where: Base-Base interactions energy: -1309.570 where: short stacking energy: -567.909 Base-Backbone interact. energy: -3.247 local terms energy: -626.254575 where: bonds (distance) C4'-P energy: -117.717 bonds (distance) P-C4' energy: -148.376 flat angles C4'-P-C4' energy: -147.987 flat angles P-C4'-P energy: -87.072 tors. eta vs tors. theta energy: -125.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -1517.405685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.405685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.405685 (E_RNA) where: Base-Base interactions energy: -942.717 where: short stacking energy: -427.609 Base-Backbone interact. energy: 2.927 local terms energy: -577.615831 where: bonds (distance) C4'-P energy: -152.450 bonds (distance) P-C4' energy: -150.623 flat angles C4'-P-C4' energy: -140.471 flat angles P-C4'-P energy: -73.047 tors. eta vs tors. theta energy: -61.025 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: 5 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -1342.198134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.198134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.198134 (E_RNA) where: Base-Base interactions energy: -830.237 where: short stacking energy: -380.280 Base-Backbone interact. energy: -1.442 local terms energy: -510.519154 where: bonds (distance) C4'-P energy: -128.216 bonds (distance) P-C4' energy: -142.822 flat angles C4'-P-C4' energy: -122.496 flat angles P-C4'-P energy: -80.340 tors. eta vs tors. theta energy: -36.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -3264.335921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.335921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.335921 (E_RNA) where: Base-Base interactions energy: -2283.005 where: short stacking energy: -984.714 Base-Backbone interact. energy: 1.131 local terms energy: -982.462347 where: bonds (distance) C4'-P energy: -189.780 bonds (distance) P-C4' energy: -163.964 flat angles C4'-P-C4' energy: -208.760 flat angles P-C4'-P energy: -135.534 tors. eta vs tors. theta energy: -284.424 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: 1 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -3082.590006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3082.590006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3082.590006 (E_RNA) where: Base-Base interactions energy: -2122.203 where: short stacking energy: -935.707 Base-Backbone interact. energy: -2.349 local terms energy: -958.038381 where: bonds (distance) C4'-P energy: -182.294 bonds (distance) P-C4' energy: -164.130 flat angles C4'-P-C4' energy: -208.556 flat angles P-C4'-P energy: -137.997 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: 7 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -3081.840076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.840076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.840076 (E_RNA) where: Base-Base interactions energy: -2165.781 where: short stacking energy: -879.546 Base-Backbone interact. energy: -4.375 local terms energy: -911.683789 where: bonds (distance) C4'-P energy: -166.105 bonds (distance) P-C4' energy: -166.425 flat angles C4'-P-C4' energy: -190.349 flat angles P-C4'-P energy: -126.048 tors. eta vs tors. theta energy: -262.757 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: 4, replica: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -2895.851704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.851704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.851704 (E_RNA) where: Base-Base interactions energy: -1999.736 where: short stacking energy: -848.674 Base-Backbone interact. energy: -6.792 local terms energy: -889.323799 where: bonds (distance) C4'-P energy: -161.039 bonds (distance) P-C4' energy: -177.868 flat angles C4'-P-C4' energy: -205.553 flat angles P-C4'-P energy: -107.132 tors. eta vs tors. theta energy: -237.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -2693.618435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.618435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.618435 (E_RNA) where: Base-Base interactions energy: -1812.611 where: short stacking energy: -795.858 Base-Backbone interact. energy: -3.651 local terms energy: -877.355643 where: bonds (distance) C4'-P energy: -165.635 bonds (distance) P-C4' energy: -169.277 flat angles C4'-P-C4' energy: -184.167 flat angles P-C4'-P energy: -119.086 tors. eta vs tors. theta energy: -239.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -2584.761669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2584.761669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2584.761669 (E_RNA) where: Base-Base interactions energy: -1742.371 where: short stacking energy: -740.662 Base-Backbone interact. energy: -3.679 local terms energy: -838.711866 where: bonds (distance) C4'-P energy: -147.891 bonds (distance) P-C4' energy: -161.464 flat angles C4'-P-C4' energy: -175.892 flat angles P-C4'-P energy: -124.435 tors. eta vs tors. theta energy: -229.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -2337.006470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.006470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.006470 (E_RNA) where: Base-Base interactions energy: -1589.665 where: short stacking energy: -715.465 Base-Backbone interact. energy: 3.502 local terms energy: -750.843690 where: bonds (distance) C4'-P energy: -147.956 bonds (distance) P-C4' energy: -156.230 flat angles C4'-P-C4' energy: -159.998 flat angles P-C4'-P energy: -108.240 tors. eta vs tors. theta energy: -178.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -2004.613627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2004.613627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2004.613627 (E_RNA) where: Base-Base interactions energy: -1360.950 where: short stacking energy: -570.879 Base-Backbone interact. energy: 3.751 local terms energy: -647.414132 where: bonds (distance) C4'-P energy: -151.748 bonds (distance) P-C4' energy: -144.900 flat angles C4'-P-C4' energy: -148.883 flat angles P-C4'-P energy: -83.658 tors. eta vs tors. theta energy: -118.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1529.578513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.578513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.578513 (E_RNA) where: Base-Base interactions energy: -942.777 where: short stacking energy: -474.844 Base-Backbone interact. energy: 1.098 local terms energy: -587.899649 where: bonds (distance) C4'-P energy: -143.021 bonds (distance) P-C4' energy: -146.082 flat angles C4'-P-C4' energy: -147.227 flat angles P-C4'-P energy: -79.049 tors. eta vs tors. theta energy: -72.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -1279.242508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.242508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.242508 (E_RNA) where: Base-Base interactions energy: -733.147 where: short stacking energy: -343.300 Base-Backbone interact. energy: 6.127 local terms energy: -552.222750 where: bonds (distance) C4'-P energy: -135.725 bonds (distance) P-C4' energy: -173.198 flat angles C4'-P-C4' energy: -145.333 flat angles P-C4'-P energy: -71.428 tors. eta vs tors. theta energy: -26.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -3260.877121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3260.877121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3260.877121 (E_RNA) where: Base-Base interactions energy: -2291.913 where: short stacking energy: -974.330 Base-Backbone interact. energy: -4.053 local terms energy: -964.910776 where: bonds (distance) C4'-P energy: -169.529 bonds (distance) P-C4' energy: -169.689 flat angles C4'-P-C4' energy: -204.926 flat angles P-C4'-P energy: -147.584 tors. eta vs tors. theta energy: -273.183 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: 2, replica: 1 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -3122.214146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3122.214146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3122.214146 (E_RNA) where: Base-Base interactions energy: -2159.818 where: short stacking energy: -916.466 Base-Backbone interact. energy: -2.667 local terms energy: -959.729557 where: bonds (distance) C4'-P energy: -188.242 bonds (distance) P-C4' energy: -176.718 flat angles C4'-P-C4' energy: -206.559 flat angles P-C4'-P energy: -128.679 tors. eta vs tors. theta energy: -259.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -3009.642591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.642591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.642591 (E_RNA) where: Base-Base interactions energy: -2106.544 where: short stacking energy: -858.492 Base-Backbone interact. energy: -1.993 local terms energy: -901.105635 where: bonds (distance) C4'-P energy: -171.717 bonds (distance) P-C4' energy: -168.014 flat angles C4'-P-C4' energy: -182.469 flat angles P-C4'-P energy: -131.778 tors. eta vs tors. theta energy: -247.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -2870.044801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.044801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.044801 (E_RNA) where: Base-Base interactions energy: -1950.113 where: short stacking energy: -843.797 Base-Backbone interact. energy: -6.283 local terms energy: -913.648688 where: bonds (distance) C4'-P energy: -177.176 bonds (distance) P-C4' energy: -173.645 flat angles C4'-P-C4' energy: -198.597 flat angles P-C4'-P energy: -129.998 tors. eta vs tors. theta energy: -234.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -2721.563912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.563912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.563912 (E_RNA) where: Base-Base interactions energy: -1863.588 where: short stacking energy: -815.090 Base-Backbone interact. energy: -0.188 local terms energy: -857.787293 where: bonds (distance) C4'-P energy: -149.584 bonds (distance) P-C4' energy: -166.988 flat angles C4'-P-C4' energy: -186.939 flat angles P-C4'-P energy: -116.856 tors. eta vs tors. theta energy: -237.420 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: 6, replica: 6 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -2581.089291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2581.089291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2581.089291 (E_RNA) where: Base-Base interactions energy: -1768.996 where: short stacking energy: -775.821 Base-Backbone interact. energy: -4.056 local terms energy: -808.037372 where: bonds (distance) C4'-P energy: -150.278 bonds (distance) P-C4' energy: -146.699 flat angles C4'-P-C4' energy: -187.772 flat angles P-C4'-P energy: -119.673 tors. eta vs tors. theta energy: -203.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -2359.999707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.999707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.999707 (E_RNA) where: Base-Base interactions energy: -1638.437 where: short stacking energy: -710.210 Base-Backbone interact. energy: -0.515 local terms energy: -721.047730 where: bonds (distance) C4'-P energy: -127.749 bonds (distance) P-C4' energy: -145.971 flat angles C4'-P-C4' energy: -154.566 flat angles P-C4'-P energy: -108.114 tors. eta vs tors. theta energy: -184.647 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: 10 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -2018.842855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2018.842855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2018.842855 (E_RNA) where: Base-Base interactions energy: -1375.063 where: short stacking energy: -603.123 Base-Backbone interact. energy: -5.558 local terms energy: -638.221950 where: bonds (distance) C4'-P energy: -130.109 bonds (distance) P-C4' energy: -163.404 flat angles C4'-P-C4' energy: -160.480 flat angles P-C4'-P energy: -79.786 tors. eta vs tors. theta energy: -104.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -1506.038774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.038774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.038774 (E_RNA) where: Base-Base interactions energy: -930.360 where: short stacking energy: -418.877 Base-Backbone interact. energy: 1.569 local terms energy: -577.248037 where: bonds (distance) C4'-P energy: -137.210 bonds (distance) P-C4' energy: -156.783 flat angles C4'-P-C4' energy: -136.302 flat angles P-C4'-P energy: -86.209 tors. eta vs tors. theta energy: -60.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -1292.801871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.801871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.801871 (E_RNA) where: Base-Base interactions energy: -773.496 where: short stacking energy: -371.289 Base-Backbone interact. energy: 1.298 local terms energy: -520.602987 where: bonds (distance) C4'-P energy: -139.416 bonds (distance) P-C4' energy: -145.900 flat angles C4'-P-C4' energy: -119.906 flat angles P-C4'-P energy: -84.837 tors. eta vs tors. theta energy: -30.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -3291.185658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3291.185658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3291.185658 (E_RNA) where: Base-Base interactions energy: -2316.434 where: short stacking energy: -959.427 Base-Backbone interact. energy: -3.677 local terms energy: -971.074316 where: bonds (distance) C4'-P energy: -156.416 bonds (distance) P-C4' energy: -192.899 flat angles C4'-P-C4' energy: -213.056 flat angles P-C4'-P energy: -138.016 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: 313 Temperature: 0.950000 Total energy: -3132.477661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.477661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.477661 (E_RNA) where: Base-Base interactions energy: -2180.150 where: short stacking energy: -923.496 Base-Backbone interact. energy: -2.175 local terms energy: -950.152817 where: bonds (distance) C4'-P energy: -167.778 bonds (distance) P-C4' energy: -169.710 flat angles C4'-P-C4' energy: -206.811 flat angles P-C4'-P energy: -138.475 tors. eta vs tors. theta energy: -267.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -2979.196550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.196550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.196550 (E_RNA) where: Base-Base interactions energy: -2097.588 where: short stacking energy: -871.640 Base-Backbone interact. energy: -2.789 local terms energy: -878.818620 where: bonds (distance) C4'-P energy: -152.740 bonds (distance) P-C4' energy: -172.471 flat angles C4'-P-C4' energy: -190.639 flat angles P-C4'-P energy: -128.539 tors. eta vs tors. theta energy: -234.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -2905.688042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.688042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.688042 (E_RNA) where: Base-Base interactions energy: -2035.464 where: short stacking energy: -856.548 Base-Backbone interact. energy: -1.940 local terms energy: -868.283769 where: bonds (distance) C4'-P energy: -163.023 bonds (distance) P-C4' energy: -156.824 flat angles C4'-P-C4' energy: -187.424 flat angles P-C4'-P energy: -114.572 tors. eta vs tors. theta energy: -246.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -2735.488023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.488023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.488023 (E_RNA) where: Base-Base interactions energy: -1874.997 where: short stacking energy: -810.211 Base-Backbone interact. energy: -2.687 local terms energy: -857.804457 where: bonds (distance) C4'-P energy: -158.828 bonds (distance) P-C4' energy: -155.804 flat angles C4'-P-C4' energy: -190.175 flat angles P-C4'-P energy: -115.271 tors. eta vs tors. theta energy: -237.727 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: 313 Temperature: 1.150000 Total energy: -2608.160913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.160913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.160913 (E_RNA) where: Base-Base interactions energy: -1779.928 where: short stacking energy: -772.237 Base-Backbone interact. energy: 7.689 local terms energy: -835.922074 where: bonds (distance) C4'-P energy: -167.941 bonds (distance) P-C4' energy: -156.928 flat angles C4'-P-C4' energy: -192.510 flat angles P-C4'-P energy: -117.038 tors. eta vs tors. theta energy: -201.505 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: 7, replica: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -2324.800045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.800045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.800045 (E_RNA) where: Base-Base interactions energy: -1537.770 where: short stacking energy: -686.789 Base-Backbone interact. energy: -2.690 local terms energy: -784.339735 where: bonds (distance) C4'-P energy: -150.910 bonds (distance) P-C4' energy: -162.180 flat angles C4'-P-C4' energy: -171.336 flat angles P-C4'-P energy: -117.197 tors. eta vs tors. theta energy: -182.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1960.378955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.378955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.378955 (E_RNA) where: Base-Base interactions energy: -1310.250 where: short stacking energy: -561.996 Base-Backbone interact. energy: -0.964 local terms energy: -649.164920 where: bonds (distance) C4'-P energy: -147.525 bonds (distance) P-C4' energy: -138.233 flat angles C4'-P-C4' energy: -159.553 flat angles P-C4'-P energy: -100.168 tors. eta vs tors. theta energy: -103.685 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: 9 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -1562.262775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.262775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.262775 (E_RNA) where: Base-Base interactions energy: -953.208 where: short stacking energy: -483.083 Base-Backbone interact. energy: 2.837 local terms energy: -611.891499 where: bonds (distance) C4'-P energy: -135.333 bonds (distance) P-C4' energy: -150.676 flat angles C4'-P-C4' energy: -143.869 flat angles P-C4'-P energy: -88.075 tors. eta vs tors. theta energy: -93.939 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: 5 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -1323.302877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.302877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.302877 (E_RNA) where: Base-Base interactions energy: -805.002 where: short stacking energy: -379.575 Base-Backbone interact. energy: 1.188 local terms energy: -519.489488 where: bonds (distance) C4'-P energy: -135.946 bonds (distance) P-C4' energy: -143.391 flat angles C4'-P-C4' energy: -129.121 flat angles P-C4'-P energy: -78.924 tors. eta vs tors. theta energy: -32.108 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: 2 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -3323.759485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.759485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.759485 (E_RNA) where: Base-Base interactions energy: -2351.591 where: short stacking energy: -985.910 Base-Backbone interact. energy: -3.881 local terms energy: -968.287418 where: bonds (distance) C4'-P energy: -168.953 bonds (distance) P-C4' energy: -168.320 flat angles C4'-P-C4' energy: -214.673 flat angles P-C4'-P energy: -143.525 tors. eta vs tors. theta energy: -272.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -3107.711479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3107.711479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3107.711479 (E_RNA) where: Base-Base interactions energy: -2151.108 where: short stacking energy: -933.605 Base-Backbone interact. energy: 1.214 local terms energy: -957.817934 where: bonds (distance) C4'-P energy: -171.388 bonds (distance) P-C4' energy: -162.754 flat angles C4'-P-C4' energy: -210.630 flat angles P-C4'-P energy: -146.145 tors. eta vs tors. theta energy: -266.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -2977.472890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2977.472890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2977.472890 (E_RNA) where: Base-Base interactions energy: -2071.717 where: short stacking energy: -869.270 Base-Backbone interact. energy: -3.080 local terms energy: -902.675509 where: bonds (distance) C4'-P energy: -177.801 bonds (distance) P-C4' energy: -161.161 flat angles C4'-P-C4' energy: -187.766 flat angles P-C4'-P energy: -128.361 tors. eta vs tors. theta energy: -247.587 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: 4, replica: 8 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -2846.121851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.121851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.121851 (E_RNA) where: Base-Base interactions energy: -1979.375 where: short stacking energy: -815.491 Base-Backbone interact. energy: -6.673 local terms energy: -860.073696 where: bonds (distance) C4'-P energy: -168.288 bonds (distance) P-C4' energy: -177.177 flat angles C4'-P-C4' energy: -176.522 flat angles P-C4'-P energy: -99.412 tors. eta vs tors. theta energy: -238.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -2712.052194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.052194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.052194 (E_RNA) where: Base-Base interactions energy: -1870.686 where: short stacking energy: -822.039 Base-Backbone interact. energy: -0.363 local terms energy: -841.003749 where: bonds (distance) C4'-P energy: -162.658 bonds (distance) P-C4' energy: -143.684 flat angles C4'-P-C4' energy: -187.496 flat angles P-C4'-P energy: -108.044 tors. eta vs tors. theta energy: -239.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -2531.646063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.646063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.646063 (E_RNA) where: Base-Base interactions energy: -1724.480 where: short stacking energy: -770.035 Base-Backbone interact. energy: 3.980 local terms energy: -811.146723 where: bonds (distance) C4'-P energy: -162.796 bonds (distance) P-C4' energy: -150.378 flat angles C4'-P-C4' energy: -171.354 flat angles P-C4'-P energy: -116.816 tors. eta vs tors. theta energy: -209.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -2367.166119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2367.166119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2367.166119 (E_RNA) where: Base-Base interactions energy: -1589.348 where: short stacking energy: -708.106 Base-Backbone interact. energy: -2.231 local terms energy: -775.586565 where: bonds (distance) C4'-P energy: -132.489 bonds (distance) P-C4' energy: -159.762 flat angles C4'-P-C4' energy: -180.796 flat angles P-C4'-P energy: -116.364 tors. eta vs tors. theta energy: -186.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -2045.838050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.838050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.838050 (E_RNA) where: Base-Base interactions energy: -1406.159 where: short stacking energy: -574.652 Base-Backbone interact. energy: -0.346 local terms energy: -639.332551 where: bonds (distance) C4'-P energy: -142.684 bonds (distance) P-C4' energy: -139.557 flat angles C4'-P-C4' energy: -161.567 flat angles P-C4'-P energy: -83.722 tors. eta vs tors. theta energy: -111.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -1573.295056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.295056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.295056 (E_RNA) where: Base-Base interactions energy: -963.761 where: short stacking energy: -459.405 Base-Backbone interact. energy: 1.319 local terms energy: -610.853134 where: bonds (distance) C4'-P energy: -127.671 bonds (distance) P-C4' energy: -144.235 flat angles C4'-P-C4' energy: -145.109 flat angles P-C4'-P energy: -99.970 tors. eta vs tors. theta energy: -93.868 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: 5 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -1333.979102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.979102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.979102 (E_RNA) where: Base-Base interactions energy: -820.212 where: short stacking energy: -379.556 Base-Backbone interact. energy: 1.299 local terms energy: -515.065560 where: bonds (distance) C4'-P energy: -136.575 bonds (distance) P-C4' energy: -155.011 flat angles C4'-P-C4' energy: -119.513 flat angles P-C4'-P energy: -76.089 tors. eta vs tors. theta energy: -27.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -3248.305896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3248.305896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3248.305896 (E_RNA) where: Base-Base interactions energy: -2263.531 where: short stacking energy: -935.374 Base-Backbone interact. energy: -4.767 local terms energy: -980.007983 where: bonds (distance) C4'-P energy: -177.476 bonds (distance) P-C4' energy: -181.585 flat angles C4'-P-C4' energy: -209.234 flat angles P-C4'-P energy: -151.199 tors. eta vs tors. theta energy: -260.513 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: 1 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -3083.949235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3083.949235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3083.949235 (E_RNA) where: Base-Base interactions energy: -2140.020 where: short stacking energy: -934.413 Base-Backbone interact. energy: -0.611 local terms energy: -943.318714 where: bonds (distance) C4'-P energy: -162.418 bonds (distance) P-C4' energy: -174.355 flat angles C4'-P-C4' energy: -214.000 flat angles P-C4'-P energy: -124.935 tors. eta vs tors. theta energy: -267.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -2991.825435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.825435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.825435 (E_RNA) where: Base-Base interactions energy: -2086.528 where: short stacking energy: -878.556 Base-Backbone interact. energy: 0.200 local terms energy: -905.497982 where: bonds (distance) C4'-P energy: -164.027 bonds (distance) P-C4' energy: -157.757 flat angles C4'-P-C4' energy: -201.275 flat angles P-C4'-P energy: -126.311 tors. eta vs tors. theta energy: -256.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -2825.278758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2825.278758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2825.278758 (E_RNA) where: Base-Base interactions energy: -1992.293 where: short stacking energy: -839.219 Base-Backbone interact. energy: -4.530 local terms energy: -828.456567 where: bonds (distance) C4'-P energy: -157.359 bonds (distance) P-C4' energy: -150.567 flat angles C4'-P-C4' energy: -186.375 flat angles P-C4'-P energy: -113.073 tors. eta vs tors. theta energy: -221.082 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: 5, replica: 4 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -2699.830373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2699.830373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2699.830373 (E_RNA) where: Base-Base interactions energy: -1860.430 where: short stacking energy: -827.790 Base-Backbone interact. energy: 2.922 local terms energy: -842.322719 where: bonds (distance) C4'-P energy: -148.567 bonds (distance) P-C4' energy: -145.055 flat angles C4'-P-C4' energy: -186.948 flat angles P-C4'-P energy: -121.120 tors. eta vs tors. theta energy: -240.633 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: 315 Temperature: 1.150000 Total energy: -2529.671935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.671935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.671935 (E_RNA) where: Base-Base interactions energy: -1717.451 where: short stacking energy: -734.212 Base-Backbone interact. energy: -0.900 local terms energy: -811.320336 where: bonds (distance) C4'-P energy: -144.977 bonds (distance) P-C4' energy: -146.539 flat angles C4'-P-C4' energy: -182.966 flat angles P-C4'-P energy: -123.768 tors. eta vs tors. theta energy: -213.071 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: 3 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -2359.941770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2359.941770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2359.941770 (E_RNA) where: Base-Base interactions energy: -1597.812 where: short stacking energy: -682.758 Base-Backbone interact. energy: -3.722 local terms energy: -758.408048 where: bonds (distance) C4'-P energy: -148.615 bonds (distance) P-C4' energy: -147.438 flat angles C4'-P-C4' energy: -175.749 flat angles P-C4'-P energy: -107.172 tors. eta vs tors. theta energy: -179.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -2024.774749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2024.774749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2024.774749 (E_RNA) where: Base-Base interactions energy: -1341.899 where: short stacking energy: -577.187 Base-Backbone interact. energy: 2.619 local terms energy: -685.494520 where: bonds (distance) C4'-P energy: -136.984 bonds (distance) P-C4' energy: -155.261 flat angles C4'-P-C4' energy: -167.421 flat angles P-C4'-P energy: -98.794 tors. eta vs tors. theta energy: -127.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -1676.285560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.285560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.285560 (E_RNA) where: Base-Base interactions energy: -1079.809 where: short stacking energy: -470.217 Base-Backbone interact. energy: 3.323 local terms energy: -599.799827 where: bonds (distance) C4'-P energy: -127.508 bonds (distance) P-C4' energy: -165.305 flat angles C4'-P-C4' energy: -152.085 flat angles P-C4'-P energy: -85.453 tors. eta vs tors. theta energy: -69.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -1312.119431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.119431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.119431 (E_RNA) where: Base-Base interactions energy: -811.233 where: short stacking energy: -424.176 Base-Backbone interact. energy: 2.252 local terms energy: -503.138384 where: bonds (distance) C4'-P energy: -128.088 bonds (distance) P-C4' energy: -127.842 flat angles C4'-P-C4' energy: -115.716 flat angles P-C4'-P energy: -82.597 tors. eta vs tors. theta energy: -48.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -3266.854635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3266.854635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3266.854635 (E_RNA) where: Base-Base interactions energy: -2279.863 where: short stacking energy: -953.268 Base-Backbone interact. energy: -3.196 local terms energy: -983.795503 where: bonds (distance) C4'-P energy: -176.425 bonds (distance) P-C4' energy: -188.302 flat angles C4'-P-C4' energy: -205.079 flat angles P-C4'-P energy: -128.920 tors. eta vs tors. theta energy: -285.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -3112.675211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3112.675211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3112.675211 (E_RNA) where: Base-Base interactions energy: -2156.218 where: short stacking energy: -923.435 Base-Backbone interact. energy: 2.971 local terms energy: -959.427259 where: bonds (distance) C4'-P energy: -184.315 bonds (distance) P-C4' energy: -171.497 flat angles C4'-P-C4' energy: -216.631 flat angles P-C4'-P energy: -129.026 tors. eta vs tors. theta energy: -257.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -2988.555484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2988.555484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2988.555484 (E_RNA) where: Base-Base interactions energy: -2112.715 where: short stacking energy: -865.782 Base-Backbone interact. energy: -1.170 local terms energy: -874.670490 where: bonds (distance) C4'-P energy: -166.448 bonds (distance) P-C4' energy: -157.415 flat angles C4'-P-C4' energy: -170.383 flat angles P-C4'-P energy: -126.137 tors. eta vs tors. theta energy: -254.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -2843.544639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.544639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.544639 (E_RNA) where: Base-Base interactions energy: -1971.756 where: short stacking energy: -842.358 Base-Backbone interact. energy: -4.462 local terms energy: -867.327140 where: bonds (distance) C4'-P energy: -162.680 bonds (distance) P-C4' energy: -173.727 flat angles C4'-P-C4' energy: -187.045 flat angles P-C4'-P energy: -103.933 tors. eta vs tors. theta energy: -239.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -2698.592117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2698.592117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2698.592117 (E_RNA) where: Base-Base interactions energy: -1828.965 where: short stacking energy: -775.830 Base-Backbone interact. energy: -3.751 local terms energy: -865.876406 where: bonds (distance) C4'-P energy: -163.812 bonds (distance) P-C4' energy: -165.059 flat angles C4'-P-C4' energy: -184.764 flat angles P-C4'-P energy: -112.272 tors. eta vs tors. theta energy: -239.969 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: 6 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -2506.717560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.717560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.717560 (E_RNA) where: Base-Base interactions energy: -1733.749 where: short stacking energy: -759.170 Base-Backbone interact. energy: 2.047 local terms energy: -775.016020 where: bonds (distance) C4'-P energy: -167.798 bonds (distance) P-C4' energy: -147.871 flat angles C4'-P-C4' energy: -162.259 flat angles P-C4'-P energy: -103.511 tors. eta vs tors. theta energy: -193.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -2316.739679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2316.739679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2316.739679 (E_RNA) where: Base-Base interactions energy: -1591.228 where: short stacking energy: -684.552 Base-Backbone interact. energy: 1.168 local terms energy: -726.679517 where: bonds (distance) C4'-P energy: -123.795 bonds (distance) P-C4' energy: -144.737 flat angles C4'-P-C4' energy: -177.726 flat angles P-C4'-P energy: -112.234 tors. eta vs tors. theta energy: -168.187 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: 10 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1997.616822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.616822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.616822 (E_RNA) where: Base-Base interactions energy: -1328.049 where: short stacking energy: -562.125 Base-Backbone interact. energy: 0.011 local terms energy: -669.579161 where: bonds (distance) C4'-P energy: -156.656 bonds (distance) P-C4' energy: -153.741 flat angles C4'-P-C4' energy: -139.325 flat angles P-C4'-P energy: -90.698 tors. eta vs tors. theta energy: -129.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -1679.842627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.842627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.842627 (E_RNA) where: Base-Base interactions energy: -1107.159 where: short stacking energy: -499.916 Base-Backbone interact. energy: -2.401 local terms energy: -570.282241 where: bonds (distance) C4'-P energy: -118.161 bonds (distance) P-C4' energy: -141.157 flat angles C4'-P-C4' energy: -148.828 flat angles P-C4'-P energy: -72.036 tors. eta vs tors. theta energy: -90.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -1332.132825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.132825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.132825 (E_RNA) where: Base-Base interactions energy: -801.128 where: short stacking energy: -401.818 Base-Backbone interact. energy: 0.824 local terms energy: -531.828933 where: bonds (distance) C4'-P energy: -126.996 bonds (distance) P-C4' energy: -140.101 flat angles C4'-P-C4' energy: -135.165 flat angles P-C4'-P energy: -84.505 tors. eta vs tors. theta energy: -45.062 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: 2 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -3317.702311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3317.702311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3317.702311 (E_RNA) where: Base-Base interactions energy: -2303.125 where: short stacking energy: -966.856 Base-Backbone interact. energy: -4.343 local terms energy: -1010.234097 where: bonds (distance) C4'-P energy: -180.533 bonds (distance) P-C4' energy: -193.582 flat angles C4'-P-C4' energy: -208.801 flat angles P-C4'-P energy: -136.561 tors. eta vs tors. theta energy: -290.756 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: 1 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -3078.911473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.911473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.911473 (E_RNA) where: Base-Base interactions energy: -2146.212 where: short stacking energy: -934.158 Base-Backbone interact. energy: -0.813 local terms energy: -931.886541 where: bonds (distance) C4'-P energy: -172.049 bonds (distance) P-C4' energy: -150.940 flat angles C4'-P-C4' energy: -207.537 flat angles P-C4'-P energy: -140.906 tors. eta vs tors. theta energy: -260.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -3016.097764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3016.097764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3016.097764 (E_RNA) where: Base-Base interactions energy: -2106.403 where: short stacking energy: -896.021 Base-Backbone interact. energy: 0.729 local terms energy: -910.424621 where: bonds (distance) C4'-P energy: -163.890 bonds (distance) P-C4' energy: -173.342 flat angles C4'-P-C4' energy: -196.775 flat angles P-C4'-P energy: -112.937 tors. eta vs tors. theta energy: -263.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -2886.706458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2886.706458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2886.706458 (E_RNA) where: Base-Base interactions energy: -1997.563 where: short stacking energy: -828.297 Base-Backbone interact. energy: -7.664 local terms energy: -881.479244 where: bonds (distance) C4'-P energy: -164.967 bonds (distance) P-C4' energy: -162.767 flat angles C4'-P-C4' energy: -202.324 flat angles P-C4'-P energy: -115.452 tors. eta vs tors. theta energy: -235.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -2706.191722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2706.191722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2706.191722 (E_RNA) where: Base-Base interactions energy: -1905.224 where: short stacking energy: -808.787 Base-Backbone interact. energy: 0.177 local terms energy: -801.144679 where: bonds (distance) C4'-P energy: -134.817 bonds (distance) P-C4' energy: -149.229 flat angles C4'-P-C4' energy: -172.947 flat angles P-C4'-P energy: -113.403 tors. eta vs tors. theta energy: -230.748 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: 6, replica: 6 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -2592.297574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.297574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.297574 (E_RNA) where: Base-Base interactions energy: -1791.044 where: short stacking energy: -767.059 Base-Backbone interact. energy: -3.195 local terms energy: -798.058882 where: bonds (distance) C4'-P energy: -167.395 bonds (distance) P-C4' energy: -144.879 flat angles C4'-P-C4' energy: -175.978 flat angles P-C4'-P energy: -116.102 tors. eta vs tors. theta energy: -193.704 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: 7, replica: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -2341.709189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.709189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.709189 (E_RNA) where: Base-Base interactions energy: -1564.442 where: short stacking energy: -708.748 Base-Backbone interact. energy: -1.907 local terms energy: -775.360930 where: bonds (distance) C4'-P energy: -145.135 bonds (distance) P-C4' energy: -160.174 flat angles C4'-P-C4' energy: -165.650 flat angles P-C4'-P energy: -107.820 tors. eta vs tors. theta energy: -196.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -2058.575132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.575132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.575132 (E_RNA) where: Base-Base interactions energy: -1387.469 where: short stacking energy: -613.015 Base-Backbone interact. energy: -6.429 local terms energy: -664.677260 where: bonds (distance) C4'-P energy: -133.395 bonds (distance) P-C4' energy: -138.273 flat angles C4'-P-C4' energy: -158.963 flat angles P-C4'-P energy: -98.792 tors. eta vs tors. theta energy: -135.254 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: 9, replica: 9 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -1691.948240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.948240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.948240 (E_RNA) where: Base-Base interactions energy: -1136.586 where: short stacking energy: -506.042 Base-Backbone interact. energy: -1.506 local terms energy: -553.855246 where: bonds (distance) C4'-P energy: -133.591 bonds (distance) P-C4' energy: -136.200 flat angles C4'-P-C4' energy: -128.021 flat angles P-C4'-P energy: -74.320 tors. eta vs tors. theta energy: -81.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -1307.324876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.324876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.324876 (E_RNA) where: Base-Base interactions energy: -780.125 where: short stacking energy: -353.503 Base-Backbone interact. energy: -1.714 local terms energy: -525.486551 where: bonds (distance) C4'-P energy: -153.625 bonds (distance) P-C4' energy: -145.024 flat angles C4'-P-C4' energy: -132.289 flat angles P-C4'-P energy: -69.250 tors. eta vs tors. theta energy: -25.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -3275.106882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3275.106882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3275.106882 (E_RNA) where: Base-Base interactions energy: -2285.768 where: short stacking energy: -964.721 Base-Backbone interact. energy: -4.105 local terms energy: -985.233037 where: bonds (distance) C4'-P energy: -181.344 bonds (distance) P-C4' energy: -198.921 flat angles C4'-P-C4' energy: -201.343 flat angles P-C4'-P energy: -124.839 tors. eta vs tors. theta energy: -278.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -3113.894848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3113.894848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3113.894848 (E_RNA) where: Base-Base interactions energy: -2167.610 where: short stacking energy: -944.056 Base-Backbone interact. energy: -3.495 local terms energy: -942.790457 where: bonds (distance) C4'-P energy: -169.298 bonds (distance) P-C4' energy: -155.728 flat angles C4'-P-C4' energy: -215.854 flat angles P-C4'-P energy: -133.595 tors. eta vs tors. theta energy: -268.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -3038.597399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.597399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.597399 (E_RNA) where: Base-Base interactions energy: -2099.403 where: short stacking energy: -911.389 Base-Backbone interact. energy: -0.256 local terms energy: -938.938070 where: bonds (distance) C4'-P energy: -180.189 bonds (distance) P-C4' energy: -184.385 flat angles C4'-P-C4' energy: -192.407 flat angles P-C4'-P energy: -122.716 tors. eta vs tors. theta energy: -259.241 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: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -2885.170334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.170334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.170334 (E_RNA) where: Base-Base interactions energy: -2008.145 where: short stacking energy: -843.955 Base-Backbone interact. energy: -2.078 local terms energy: -874.947802 where: bonds (distance) C4'-P energy: -153.883 bonds (distance) P-C4' energy: -182.552 flat angles C4'-P-C4' energy: -186.466 flat angles P-C4'-P energy: -115.156 tors. eta vs tors. theta energy: -236.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -2668.774464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.774464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.774464 (E_RNA) where: Base-Base interactions energy: -1821.654 where: short stacking energy: -793.734 Base-Backbone interact. energy: -3.137 local terms energy: -843.983364 where: bonds (distance) C4'-P energy: -161.998 bonds (distance) P-C4' energy: -160.685 flat angles C4'-P-C4' energy: -188.301 flat angles P-C4'-P energy: -107.066 tors. eta vs tors. theta energy: -225.934 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: 4 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -2593.737949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.737949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.737949 (E_RNA) where: Base-Base interactions energy: -1781.192 where: short stacking energy: -759.881 Base-Backbone interact. energy: -3.643 local terms energy: -808.902230 where: bonds (distance) C4'-P energy: -156.557 bonds (distance) P-C4' energy: -171.610 flat angles C4'-P-C4' energy: -169.136 flat angles P-C4'-P energy: -113.511 tors. eta vs tors. theta energy: -198.089 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: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -2341.964281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2341.964281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2341.964281 (E_RNA) where: Base-Base interactions energy: -1589.340 where: short stacking energy: -702.322 Base-Backbone interact. energy: 3.253 local terms energy: -755.877694 where: bonds (distance) C4'-P energy: -138.129 bonds (distance) P-C4' energy: -138.548 flat angles C4'-P-C4' energy: -173.889 flat angles P-C4'-P energy: -124.991 tors. eta vs tors. theta energy: -180.321 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: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -2032.212459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.212459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.212459 (E_RNA) where: Base-Base interactions energy: -1348.147 where: short stacking energy: -577.498 Base-Backbone interact. energy: -0.876 local terms energy: -683.188956 where: bonds (distance) C4'-P energy: -139.609 bonds (distance) P-C4' energy: -154.883 flat angles C4'-P-C4' energy: -157.252 flat angles P-C4'-P energy: -104.433 tors. eta vs tors. theta energy: -127.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -1695.622287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.622287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.622287 (E_RNA) where: Base-Base interactions energy: -1107.982 where: short stacking energy: -502.805 Base-Backbone interact. energy: -3.163 local terms energy: -584.477215 where: bonds (distance) C4'-P energy: -128.934 bonds (distance) P-C4' energy: -130.806 flat angles C4'-P-C4' energy: -146.221 flat angles P-C4'-P energy: -98.474 tors. eta vs tors. theta energy: -80.041 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: 5 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -1311.030251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.030251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.030251 (E_RNA) where: Base-Base interactions energy: -764.356 where: short stacking energy: -373.718 Base-Backbone interact. energy: -0.745 local terms energy: -545.929736 where: bonds (distance) C4'-P energy: -140.392 bonds (distance) P-C4' energy: -141.316 flat angles C4'-P-C4' energy: -133.035 flat angles P-C4'-P energy: -102.684 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: 1, replica: 2 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -3283.179524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3283.179524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3283.179524 (E_RNA) where: Base-Base interactions energy: -2325.734 where: short stacking energy: -953.614 Base-Backbone interact. energy: -2.476 local terms energy: -954.969484 where: bonds (distance) C4'-P energy: -170.833 bonds (distance) P-C4' energy: -176.076 flat angles C4'-P-C4' energy: -211.331 flat angles P-C4'-P energy: -125.464 tors. eta vs tors. theta energy: -271.265 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: 1 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -3114.248150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3114.248150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3114.248150 (E_RNA) where: Base-Base interactions energy: -2171.274 where: short stacking energy: -925.724 Base-Backbone interact. energy: -3.162 local terms energy: -939.812302 where: bonds (distance) C4'-P energy: -176.293 bonds (distance) P-C4' energy: -174.685 flat angles C4'-P-C4' energy: -203.112 flat angles P-C4'-P energy: -117.940 tors. eta vs tors. theta energy: -267.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -3019.521135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3019.521135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3019.521135 (E_RNA) where: Base-Base interactions energy: -2080.098 where: short stacking energy: -880.226 Base-Backbone interact. energy: -4.612 local terms energy: -934.811804 where: bonds (distance) C4'-P energy: -188.809 bonds (distance) P-C4' energy: -175.793 flat angles C4'-P-C4' energy: -197.776 flat angles P-C4'-P energy: -122.534 tors. eta vs tors. theta energy: -249.900 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: 4, replica: 8 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -2883.001181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.001181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.001181 (E_RNA) where: Base-Base interactions energy: -2027.331 where: short stacking energy: -841.858 Base-Backbone interact. energy: 1.178 local terms energy: -856.848509 where: bonds (distance) C4'-P energy: -158.194 bonds (distance) P-C4' energy: -155.518 flat angles C4'-P-C4' energy: -182.165 flat angles P-C4'-P energy: -122.828 tors. eta vs tors. theta energy: -238.143 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: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -2665.384175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2665.384175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2665.384175 (E_RNA) where: Base-Base interactions energy: -1836.362 where: short stacking energy: -797.343 Base-Backbone interact. energy: -4.744 local terms energy: -824.277811 where: bonds (distance) C4'-P energy: -157.731 bonds (distance) P-C4' energy: -157.183 flat angles C4'-P-C4' energy: -172.769 flat angles P-C4'-P energy: -117.306 tors. eta vs tors. theta energy: -219.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -2593.428757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.428757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.428757 (E_RNA) where: Base-Base interactions energy: -1778.712 where: short stacking energy: -757.832 Base-Backbone interact. energy: 4.772 local terms energy: -819.488750 where: bonds (distance) C4'-P energy: -151.646 bonds (distance) P-C4' energy: -167.722 flat angles C4'-P-C4' energy: -175.856 flat angles P-C4'-P energy: -120.620 tors. eta vs tors. theta energy: -203.645 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: 7, replica: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -2336.628349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.628349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.628349 (E_RNA) where: Base-Base interactions energy: -1586.471 where: short stacking energy: -683.388 Base-Backbone interact. energy: 2.450 local terms energy: -752.607526 where: bonds (distance) C4'-P energy: -135.678 bonds (distance) P-C4' energy: -159.685 flat angles C4'-P-C4' energy: -178.670 flat angles P-C4'-P energy: -110.913 tors. eta vs tors. theta energy: -167.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -2089.865684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2089.865684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2089.865684 (E_RNA) where: Base-Base interactions energy: -1388.261 where: short stacking energy: -601.134 Base-Backbone interact. energy: -0.768 local terms energy: -700.836179 where: bonds (distance) C4'-P energy: -148.236 bonds (distance) P-C4' energy: -158.140 flat angles C4'-P-C4' energy: -159.358 flat angles P-C4'-P energy: -100.745 tors. eta vs tors. theta energy: -134.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -1655.529748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.529748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.529748 (E_RNA) where: Base-Base interactions energy: -1076.113 where: short stacking energy: -459.233 Base-Backbone interact. energy: 1.611 local terms energy: -581.028393 where: bonds (distance) C4'-P energy: -143.764 bonds (distance) P-C4' energy: -140.385 flat angles C4'-P-C4' energy: -129.178 flat angles P-C4'-P energy: -93.230 tors. eta vs tors. theta energy: -74.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -1340.196502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.196502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.196502 (E_RNA) where: Base-Base interactions energy: -811.082 where: short stacking energy: -377.398 Base-Backbone interact. energy: 10.907 local terms energy: -540.021814 where: bonds (distance) C4'-P energy: -108.174 bonds (distance) P-C4' energy: -154.507 flat angles C4'-P-C4' energy: -149.009 flat angles P-C4'-P energy: -95.891 tors. eta vs tors. theta energy: -32.441 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: 2 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -3327.107546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3327.107546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3327.107546 (E_RNA) where: Base-Base interactions energy: -2344.233 where: short stacking energy: -966.385 Base-Backbone interact. energy: -4.235 local terms energy: -978.638654 where: bonds (distance) C4'-P energy: -171.310 bonds (distance) P-C4' energy: -175.212 flat angles C4'-P-C4' energy: -203.733 flat angles P-C4'-P energy: -143.333 tors. eta vs tors. theta energy: -285.051 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: 1 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -3134.549897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.549897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.549897 (E_RNA) where: Base-Base interactions energy: -2192.182 where: short stacking energy: -946.997 Base-Backbone interact. energy: -0.976 local terms energy: -941.392145 where: bonds (distance) C4'-P energy: -172.601 bonds (distance) P-C4' energy: -161.258 flat angles C4'-P-C4' energy: -204.592 flat angles P-C4'-P energy: -139.375 tors. eta vs tors. theta energy: -263.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -2992.341722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.341722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.341722 (E_RNA) where: Base-Base interactions energy: -2118.344 where: short stacking energy: -879.636 Base-Backbone interact. energy: 5.255 local terms energy: -879.252726 where: bonds (distance) C4'-P energy: -147.160 bonds (distance) P-C4' energy: -158.189 flat angles C4'-P-C4' energy: -192.201 flat angles P-C4'-P energy: -133.770 tors. eta vs tors. theta energy: -247.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -2873.281240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.281240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.281240 (E_RNA) where: Base-Base interactions energy: -1996.470 where: short stacking energy: -850.414 Base-Backbone interact. energy: -4.222 local terms energy: -872.589048 where: bonds (distance) C4'-P energy: -151.421 bonds (distance) P-C4' energy: -173.163 flat angles C4'-P-C4' energy: -185.536 flat angles P-C4'-P energy: -123.459 tors. eta vs tors. theta energy: -239.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -2646.439142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2646.439142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2646.439142 (E_RNA) where: Base-Base interactions energy: -1805.571 where: short stacking energy: -774.930 Base-Backbone interact. energy: -0.310 local terms energy: -840.558354 where: bonds (distance) C4'-P energy: -154.675 bonds (distance) P-C4' energy: -159.118 flat angles C4'-P-C4' energy: -191.020 flat angles P-C4'-P energy: -125.986 tors. eta vs tors. theta energy: -209.760 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: 4 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -2597.280813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2597.280813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2597.280813 (E_RNA) where: Base-Base interactions energy: -1805.173 where: short stacking energy: -755.442 Base-Backbone interact. energy: -4.033 local terms energy: -788.074785 where: bonds (distance) C4'-P energy: -147.540 bonds (distance) P-C4' energy: -155.193 flat angles C4'-P-C4' energy: -168.831 flat angles P-C4'-P energy: -96.829 tors. eta vs tors. theta energy: -219.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -2386.420508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2386.420508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2386.420508 (E_RNA) where: Base-Base interactions energy: -1602.450 where: short stacking energy: -707.223 Base-Backbone interact. energy: -1.215 local terms energy: -782.756003 where: bonds (distance) C4'-P energy: -142.870 bonds (distance) P-C4' energy: -166.344 flat angles C4'-P-C4' energy: -167.699 flat angles P-C4'-P energy: -110.137 tors. eta vs tors. theta energy: -195.706 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: 10 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -2069.920300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.920300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.920300 (E_RNA) where: Base-Base interactions energy: -1389.377 where: short stacking energy: -605.263 Base-Backbone interact. energy: 2.892 local terms energy: -683.434930 where: bonds (distance) C4'-P energy: -130.948 bonds (distance) P-C4' energy: -158.116 flat angles C4'-P-C4' energy: -150.355 flat angles P-C4'-P energy: -105.747 tors. eta vs tors. theta energy: -138.269 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: 9 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -1597.436244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.436244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.436244 (E_RNA) where: Base-Base interactions energy: -1025.375 where: short stacking energy: -439.719 Base-Backbone interact. energy: 5.624 local terms energy: -577.685090 where: bonds (distance) C4'-P energy: -157.941 bonds (distance) P-C4' energy: -128.745 flat angles C4'-P-C4' energy: -155.138 flat angles P-C4'-P energy: -77.538 tors. eta vs tors. theta energy: -58.322 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: 10, replica: 5 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -1306.716869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.716869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.716869 (E_RNA) where: Base-Base interactions energy: -784.761 where: short stacking energy: -389.504 Base-Backbone interact. energy: 1.864 local terms energy: -523.819448 where: bonds (distance) C4'-P energy: -138.149 bonds (distance) P-C4' energy: -132.207 flat angles C4'-P-C4' energy: -117.847 flat angles P-C4'-P energy: -99.395 tors. eta vs tors. theta energy: -36.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -3304.898994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.898994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.898994 (E_RNA) where: Base-Base interactions energy: -2318.565 where: short stacking energy: -974.200 Base-Backbone interact. energy: -4.878 local terms energy: -981.456677 where: bonds (distance) C4'-P energy: -185.332 bonds (distance) P-C4' energy: -171.380 flat angles C4'-P-C4' energy: -211.915 flat angles P-C4'-P energy: -140.765 tors. eta vs tors. theta energy: -272.064 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: 321 Temperature: 0.950000 Total energy: -3116.286718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3116.286718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3116.286718 (E_RNA) where: Base-Base interactions energy: -2167.994 where: short stacking energy: -913.047 Base-Backbone interact. energy: -2.733 local terms energy: -945.559908 where: bonds (distance) C4'-P energy: -173.695 bonds (distance) P-C4' energy: -164.102 flat angles C4'-P-C4' energy: -200.887 flat angles P-C4'-P energy: -131.271 tors. eta vs tors. theta energy: -275.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -2924.707702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.707702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.707702 (E_RNA) where: Base-Base interactions energy: -2039.990 where: short stacking energy: -858.141 Base-Backbone interact. energy: -2.551 local terms energy: -882.166977 where: bonds (distance) C4'-P energy: -172.585 bonds (distance) P-C4' energy: -158.002 flat angles C4'-P-C4' energy: -186.378 flat angles P-C4'-P energy: -121.745 tors. eta vs tors. theta energy: -243.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -2862.098762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.098762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.098762 (E_RNA) where: Base-Base interactions energy: -2006.414 where: short stacking energy: -836.229 Base-Backbone interact. energy: -7.493 local terms energy: -848.191964 where: bonds (distance) C4'-P energy: -170.600 bonds (distance) P-C4' energy: -167.945 flat angles C4'-P-C4' energy: -180.502 flat angles P-C4'-P energy: -105.248 tors. eta vs tors. theta energy: -223.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -2630.333630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.333630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.333630 (E_RNA) where: Base-Base interactions energy: -1775.558 where: short stacking energy: -764.847 Base-Backbone interact. energy: -2.023 local terms energy: -852.752509 where: bonds (distance) C4'-P energy: -176.512 bonds (distance) P-C4' energy: -160.669 flat angles C4'-P-C4' energy: -176.964 flat angles P-C4'-P energy: -135.843 tors. eta vs tors. theta energy: -202.764 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: 4 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -2562.522874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.522874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.522874 (E_RNA) where: Base-Base interactions energy: -1762.771 where: short stacking energy: -725.248 Base-Backbone interact. energy: -2.040 local terms energy: -797.711714 where: bonds (distance) C4'-P energy: -165.466 bonds (distance) P-C4' energy: -173.479 flat angles C4'-P-C4' energy: -151.948 flat angles P-C4'-P energy: -99.102 tors. eta vs tors. theta energy: -207.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -2324.701946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.701946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.701946 (E_RNA) where: Base-Base interactions energy: -1566.883 where: short stacking energy: -672.070 Base-Backbone interact. energy: -1.372 local terms energy: -756.446799 where: bonds (distance) C4'-P energy: -124.792 bonds (distance) P-C4' energy: -160.974 flat angles C4'-P-C4' energy: -179.009 flat angles P-C4'-P energy: -105.552 tors. eta vs tors. theta energy: -186.120 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: 10 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -2046.786368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.786368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.786368 (E_RNA) where: Base-Base interactions energy: -1380.496 where: short stacking energy: -583.975 Base-Backbone interact. energy: -5.986 local terms energy: -660.304217 where: bonds (distance) C4'-P energy: -138.090 bonds (distance) P-C4' energy: -163.376 flat angles C4'-P-C4' energy: -158.822 flat angles P-C4'-P energy: -78.593 tors. eta vs tors. theta energy: -121.423 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: 9, replica: 9 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -1646.833989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.833989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.833989 (E_RNA) where: Base-Base interactions energy: -1077.119 where: short stacking energy: -465.394 Base-Backbone interact. energy: 1.598 local terms energy: -571.312726 where: bonds (distance) C4'-P energy: -153.308 bonds (distance) P-C4' energy: -148.761 flat angles C4'-P-C4' energy: -143.190 flat angles P-C4'-P energy: -74.991 tors. eta vs tors. theta energy: -51.063 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: 5 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -1367.575862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.575862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.575862 (E_RNA) where: Base-Base interactions energy: -884.157 where: short stacking energy: -381.848 Base-Backbone interact. energy: -0.759 local terms energy: -482.659929 where: bonds (distance) C4'-P energy: -122.047 bonds (distance) P-C4' energy: -136.291 flat angles C4'-P-C4' energy: -122.089 flat angles P-C4'-P energy: -70.140 tors. eta vs tors. theta energy: -32.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -3319.660147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3319.660147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3319.660147 (E_RNA) where: Base-Base interactions energy: -2326.043 where: short stacking energy: -974.026 Base-Backbone interact. energy: -1.989 local terms energy: -991.628721 where: bonds (distance) C4'-P energy: -180.127 bonds (distance) P-C4' energy: -175.349 flat angles C4'-P-C4' energy: -209.670 flat angles P-C4'-P energy: -145.615 tors. eta vs tors. theta energy: -280.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -3131.749042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.749042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.749042 (E_RNA) where: Base-Base interactions energy: -2185.203 where: short stacking energy: -935.386 Base-Backbone interact. energy: -4.161 local terms energy: -942.384915 where: bonds (distance) C4'-P energy: -165.743 bonds (distance) P-C4' energy: -174.093 flat angles C4'-P-C4' energy: -195.893 flat angles P-C4'-P energy: -128.707 tors. eta vs tors. theta energy: -277.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -2937.444182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.444182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.444182 (E_RNA) where: Base-Base interactions energy: -2059.435 where: short stacking energy: -855.049 Base-Backbone interact. energy: 4.852 local terms energy: -882.861740 where: bonds (distance) C4'-P energy: -162.679 bonds (distance) P-C4' energy: -165.275 flat angles C4'-P-C4' energy: -195.581 flat angles P-C4'-P energy: -124.612 tors. eta vs tors. theta energy: -234.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -2951.962334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.962334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.962334 (E_RNA) where: Base-Base interactions energy: -2027.840 where: short stacking energy: -860.327 Base-Backbone interact. energy: -4.920 local terms energy: -919.202458 where: bonds (distance) C4'-P energy: -175.507 bonds (distance) P-C4' energy: -178.566 flat angles C4'-P-C4' energy: -198.478 flat angles P-C4'-P energy: -125.414 tors. eta vs tors. theta energy: -241.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -2624.587689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.587689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.587689 (E_RNA) where: Base-Base interactions energy: -1775.848 where: short stacking energy: -797.958 Base-Backbone interact. energy: -0.929 local terms energy: -847.811465 where: bonds (distance) C4'-P energy: -161.987 bonds (distance) P-C4' energy: -175.939 flat angles C4'-P-C4' energy: -188.288 flat angles P-C4'-P energy: -106.413 tors. eta vs tors. theta energy: -215.185 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: 6, replica: 4 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -2575.150720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.150720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.150720 (E_RNA) where: Base-Base interactions energy: -1780.296 where: short stacking energy: -750.722 Base-Backbone interact. energy: 6.294 local terms energy: -801.148797 where: bonds (distance) C4'-P energy: -149.122 bonds (distance) P-C4' energy: -157.903 flat angles C4'-P-C4' energy: -183.759 flat angles P-C4'-P energy: -91.121 tors. eta vs tors. theta energy: -219.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -2424.620485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2424.620485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2424.620485 (E_RNA) where: Base-Base interactions energy: -1667.038 where: short stacking energy: -713.774 Base-Backbone interact. energy: -1.052 local terms energy: -756.530749 where: bonds (distance) C4'-P energy: -161.629 bonds (distance) P-C4' energy: -137.405 flat angles C4'-P-C4' energy: -171.463 flat angles P-C4'-P energy: -106.958 tors. eta vs tors. theta energy: -179.075 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: 10 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -2042.257015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.257015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.257015 (E_RNA) where: Base-Base interactions energy: -1397.489 where: short stacking energy: -602.130 Base-Backbone interact. energy: -3.992 local terms energy: -640.776489 where: bonds (distance) C4'-P energy: -125.055 bonds (distance) P-C4' energy: -144.183 flat angles C4'-P-C4' energy: -158.485 flat angles P-C4'-P energy: -87.916 tors. eta vs tors. theta energy: -125.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -1778.029468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.029468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.029468 (E_RNA) where: Base-Base interactions energy: -1188.870 where: short stacking energy: -504.646 Base-Backbone interact. energy: 6.169 local terms energy: -595.329001 where: bonds (distance) C4'-P energy: -137.911 bonds (distance) P-C4' energy: -145.570 flat angles C4'-P-C4' energy: -130.211 flat angles P-C4'-P energy: -91.621 tors. eta vs tors. theta energy: -90.016 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: 10, replica: 5 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -1429.851624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.851624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.851624 (E_RNA) where: Base-Base interactions energy: -824.971 where: short stacking energy: -391.155 Base-Backbone interact. energy: -2.415 local terms energy: -602.465702 where: bonds (distance) C4'-P energy: -167.953 bonds (distance) P-C4' energy: -153.165 flat angles C4'-P-C4' energy: -139.532 flat angles P-C4'-P energy: -92.693 tors. eta vs tors. theta energy: -49.124 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: 1, replica: 2 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -3294.974223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.974223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.974223 (E_RNA) where: Base-Base interactions energy: -2305.628 where: short stacking energy: -961.092 Base-Backbone interact. energy: -4.446 local terms energy: -984.900882 where: bonds (distance) C4'-P energy: -163.199 bonds (distance) P-C4' energy: -182.184 flat angles C4'-P-C4' energy: -215.900 flat angles P-C4'-P energy: -141.647 tors. eta vs tors. theta energy: -281.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -3153.452725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.452725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.452725 (E_RNA) where: Base-Base interactions energy: -2195.495 where: short stacking energy: -938.030 Base-Backbone interact. energy: -1.531 local terms energy: -956.426932 where: bonds (distance) C4'-P energy: -163.253 bonds (distance) P-C4' energy: -172.149 flat angles C4'-P-C4' energy: -215.647 flat angles P-C4'-P energy: -129.337 tors. eta vs tors. theta energy: -276.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -2987.558708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.558708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.558708 (E_RNA) where: Base-Base interactions energy: -2075.408 where: short stacking energy: -861.962 Base-Backbone interact. energy: -6.759 local terms energy: -905.391880 where: bonds (distance) C4'-P energy: -183.408 bonds (distance) P-C4' energy: -171.835 flat angles C4'-P-C4' energy: -184.419 flat angles P-C4'-P energy: -126.069 tors. eta vs tors. theta energy: -239.661 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: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -2922.050931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.050931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.050931 (E_RNA) where: Base-Base interactions energy: -2009.631 where: short stacking energy: -849.131 Base-Backbone interact. energy: -4.428 local terms energy: -907.991097 where: bonds (distance) C4'-P energy: -164.399 bonds (distance) P-C4' energy: -184.695 flat angles C4'-P-C4' energy: -195.453 flat angles P-C4'-P energy: -122.151 tors. eta vs tors. theta energy: -241.294 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: 6 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -2649.225561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2649.225561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2649.225561 (E_RNA) where: Base-Base interactions energy: -1813.577 where: short stacking energy: -778.284 Base-Backbone interact. energy: -4.236 local terms energy: -831.412998 where: bonds (distance) C4'-P energy: -141.654 bonds (distance) P-C4' energy: -159.484 flat angles C4'-P-C4' energy: -193.568 flat angles P-C4'-P energy: -123.313 tors. eta vs tors. theta energy: -213.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -2576.339472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2576.339472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2576.339472 (E_RNA) where: Base-Base interactions energy: -1767.045 where: short stacking energy: -701.915 Base-Backbone interact. energy: -1.736 local terms energy: -807.558420 where: bonds (distance) C4'-P energy: -164.329 bonds (distance) P-C4' energy: -149.006 flat angles C4'-P-C4' energy: -179.506 flat angles P-C4'-P energy: -111.427 tors. eta vs tors. theta energy: -203.290 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: 7, replica: 3 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -2366.272496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.272496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.272496 (E_RNA) where: Base-Base interactions energy: -1603.484 where: short stacking energy: -718.467 Base-Backbone interact. energy: 3.923 local terms energy: -766.711796 where: bonds (distance) C4'-P energy: -151.390 bonds (distance) P-C4' energy: -168.658 flat angles C4'-P-C4' energy: -158.285 flat angles P-C4'-P energy: -102.538 tors. eta vs tors. theta energy: -185.840 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: 10 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1959.833756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.833756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.833756 (E_RNA) where: Base-Base interactions energy: -1286.001 where: short stacking energy: -554.192 Base-Backbone interact. energy: 5.975 local terms energy: -679.808019 where: bonds (distance) C4'-P energy: -150.230 bonds (distance) P-C4' energy: -152.206 flat angles C4'-P-C4' energy: -162.719 flat angles P-C4'-P energy: -91.200 tors. eta vs tors. theta energy: -123.452 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: 9, replica: 9 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -1785.747273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.747273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.747273 (E_RNA) where: Base-Base interactions energy: -1151.944 where: short stacking energy: -516.850 Base-Backbone interact. energy: 1.468 local terms energy: -635.270925 where: bonds (distance) C4'-P energy: -135.331 bonds (distance) P-C4' energy: -148.225 flat angles C4'-P-C4' energy: -137.137 flat angles P-C4'-P energy: -114.658 tors. eta vs tors. theta energy: -99.920 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: 5 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -1464.750191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.750191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.750191 (E_RNA) where: Base-Base interactions energy: -907.113 where: short stacking energy: -439.298 Base-Backbone interact. energy: 1.523 local terms energy: -559.160001 where: bonds (distance) C4'-P energy: -140.312 bonds (distance) P-C4' energy: -125.523 flat angles C4'-P-C4' energy: -144.941 flat angles P-C4'-P energy: -75.719 tors. eta vs tors. theta energy: -72.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -3302.349883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3302.349883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3302.349883 (E_RNA) where: Base-Base interactions energy: -2317.672 where: short stacking energy: -960.592 Base-Backbone interact. energy: -4.498 local terms energy: -980.180079 where: bonds (distance) C4'-P energy: -173.079 bonds (distance) P-C4' energy: -188.157 flat angles C4'-P-C4' energy: -206.708 flat angles P-C4'-P energy: -128.461 tors. eta vs tors. theta energy: -283.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -3153.167460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.167460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.167460 (E_RNA) where: Base-Base interactions energy: -2199.832 where: short stacking energy: -936.142 Base-Backbone interact. energy: -2.001 local terms energy: -951.334462 where: bonds (distance) C4'-P energy: -173.363 bonds (distance) P-C4' energy: -168.704 flat angles C4'-P-C4' energy: -202.766 flat angles P-C4'-P energy: -145.671 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: 3, replica: 7 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -2975.426723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.426723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.426723 (E_RNA) where: Base-Base interactions energy: -2062.126 where: short stacking energy: -875.155 Base-Backbone interact. energy: 2.069 local terms energy: -915.369653 where: bonds (distance) C4'-P energy: -148.975 bonds (distance) P-C4' energy: -181.305 flat angles C4'-P-C4' energy: -203.654 flat angles P-C4'-P energy: -131.215 tors. eta vs tors. theta energy: -250.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -2921.710198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.710198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.710198 (E_RNA) where: Base-Base interactions energy: -2040.455 where: short stacking energy: -825.968 Base-Backbone interact. energy: -2.333 local terms energy: -878.922059 where: bonds (distance) C4'-P energy: -164.383 bonds (distance) P-C4' energy: -178.230 flat angles C4'-P-C4' energy: -190.457 flat angles P-C4'-P energy: -104.795 tors. eta vs tors. theta energy: -241.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -2697.943243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2697.943243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2697.943243 (E_RNA) where: Base-Base interactions energy: -1865.448 where: short stacking energy: -772.911 Base-Backbone interact. energy: -4.920 local terms energy: -827.574903 where: bonds (distance) C4'-P energy: -135.089 bonds (distance) P-C4' energy: -159.302 flat angles C4'-P-C4' energy: -184.686 flat angles P-C4'-P energy: -139.465 tors. eta vs tors. theta energy: -209.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -2519.960074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.960074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.960074 (E_RNA) where: Base-Base interactions energy: -1727.999 where: short stacking energy: -747.318 Base-Backbone interact. energy: -3.433 local terms energy: -788.528242 where: bonds (distance) C4'-P energy: -157.175 bonds (distance) P-C4' energy: -149.002 flat angles C4'-P-C4' energy: -169.532 flat angles P-C4'-P energy: -117.403 tors. eta vs tors. theta energy: -195.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -2335.196847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.196847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.196847 (E_RNA) where: Base-Base interactions energy: -1568.017 where: short stacking energy: -690.759 Base-Backbone interact. energy: 0.918 local terms energy: -768.098187 where: bonds (distance) C4'-P energy: -177.749 bonds (distance) P-C4' energy: -157.713 flat angles C4'-P-C4' energy: -164.642 flat angles P-C4'-P energy: -104.530 tors. eta vs tors. theta energy: -163.464 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: 10 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1989.101163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1989.101163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1989.101163 (E_RNA) where: Base-Base interactions energy: -1302.701 where: short stacking energy: -587.057 Base-Backbone interact. energy: -0.742 local terms energy: -685.658091 where: bonds (distance) C4'-P energy: -156.737 bonds (distance) P-C4' energy: -148.884 flat angles C4'-P-C4' energy: -171.150 flat angles P-C4'-P energy: -86.586 tors. eta vs tors. theta energy: -122.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -1690.544649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.544649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.544649 (E_RNA) where: Base-Base interactions energy: -1094.027 where: short stacking energy: -494.959 Base-Backbone interact. energy: 4.153 local terms energy: -600.670389 where: bonds (distance) C4'-P energy: -125.476 bonds (distance) P-C4' energy: -161.234 flat angles C4'-P-C4' energy: -151.387 flat angles P-C4'-P energy: -88.460 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: 10, replica: 5 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -1459.117614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.117614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.117614 (E_RNA) where: Base-Base interactions energy: -895.125 where: short stacking energy: -405.547 Base-Backbone interact. energy: -0.914 local terms energy: -563.078400 where: bonds (distance) C4'-P energy: -132.093 bonds (distance) P-C4' energy: -137.108 flat angles C4'-P-C4' energy: -149.117 flat angles P-C4'-P energy: -82.362 tors. eta vs tors. theta energy: -62.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -3273.165804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.165804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.165804 (E_RNA) where: Base-Base interactions energy: -2283.402 where: short stacking energy: -957.128 Base-Backbone interact. energy: -3.157 local terms energy: -986.606581 where: bonds (distance) C4'-P energy: -186.616 bonds (distance) P-C4' energy: -169.375 flat angles C4'-P-C4' energy: -208.700 flat angles P-C4'-P energy: -145.799 tors. eta vs tors. theta energy: -276.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -3130.042491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.042491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.042491 (E_RNA) where: Base-Base interactions energy: -2184.175 where: short stacking energy: -927.851 Base-Backbone interact. energy: -1.290 local terms energy: -944.578141 where: bonds (distance) C4'-P energy: -163.799 bonds (distance) P-C4' energy: -166.386 flat angles C4'-P-C4' energy: -201.011 flat angles P-C4'-P energy: -149.254 tors. eta vs tors. theta energy: -264.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -2948.779060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.779060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.779060 (E_RNA) where: Base-Base interactions energy: -2054.363 where: short stacking energy: -855.047 Base-Backbone interact. energy: -0.774 local terms energy: -893.642193 where: bonds (distance) C4'-P energy: -165.691 bonds (distance) P-C4' energy: -165.664 flat angles C4'-P-C4' energy: -202.033 flat angles P-C4'-P energy: -128.570 tors. eta vs tors. theta energy: -231.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -2926.321738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2926.321738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2926.321738 (E_RNA) where: Base-Base interactions energy: -2041.895 where: short stacking energy: -870.960 Base-Backbone interact. energy: 5.427 local terms energy: -889.854427 where: bonds (distance) C4'-P energy: -171.761 bonds (distance) P-C4' energy: -181.580 flat angles C4'-P-C4' energy: -184.152 flat angles P-C4'-P energy: -118.249 tors. eta vs tors. theta energy: -234.112 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: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -2671.140396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.140396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.140396 (E_RNA) where: Base-Base interactions energy: -1809.950 where: short stacking energy: -762.654 Base-Backbone interact. energy: 2.172 local terms energy: -863.362314 where: bonds (distance) C4'-P energy: -148.086 bonds (distance) P-C4' energy: -167.535 flat angles C4'-P-C4' energy: -195.369 flat angles P-C4'-P energy: -130.805 tors. eta vs tors. theta energy: -221.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -2525.196767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.196767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.196767 (E_RNA) where: Base-Base interactions energy: -1726.237 where: short stacking energy: -754.032 Base-Backbone interact. energy: -2.306 local terms energy: -796.653467 where: bonds (distance) C4'-P energy: -161.164 bonds (distance) P-C4' energy: -144.502 flat angles C4'-P-C4' energy: -177.998 flat angles P-C4'-P energy: -110.080 tors. eta vs tors. theta energy: -202.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -2349.034001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2349.034001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2349.034001 (E_RNA) where: Base-Base interactions energy: -1594.431 where: short stacking energy: -692.633 Base-Backbone interact. energy: -2.828 local terms energy: -751.774952 where: bonds (distance) C4'-P energy: -144.439 bonds (distance) P-C4' energy: -149.124 flat angles C4'-P-C4' energy: -167.656 flat angles P-C4'-P energy: -102.432 tors. eta vs tors. theta energy: -188.124 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: 10 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1950.999104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.999104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.999104 (E_RNA) where: Base-Base interactions energy: -1278.007 where: short stacking energy: -578.804 Base-Backbone interact. energy: -0.776 local terms energy: -672.215952 where: bonds (distance) C4'-P energy: -147.363 bonds (distance) P-C4' energy: -163.117 flat angles C4'-P-C4' energy: -149.511 flat angles P-C4'-P energy: -89.914 tors. eta vs tors. theta energy: -122.311 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: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -1749.230177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.230177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.230177 (E_RNA) where: Base-Base interactions energy: -1154.651 where: short stacking energy: -508.371 Base-Backbone interact. energy: 1.255 local terms energy: -595.834702 where: bonds (distance) C4'-P energy: -136.907 bonds (distance) P-C4' energy: -160.020 flat angles C4'-P-C4' energy: -125.038 flat angles P-C4'-P energy: -82.350 tors. eta vs tors. theta energy: -91.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -1437.395768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.395768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.395768 (E_RNA) where: Base-Base interactions energy: -889.412 where: short stacking energy: -385.525 Base-Backbone interact. energy: 3.890 local terms energy: -551.873528 where: bonds (distance) C4'-P energy: -158.171 bonds (distance) P-C4' energy: -140.313 flat angles C4'-P-C4' energy: -152.000 flat angles P-C4'-P energy: -67.135 tors. eta vs tors. theta energy: -34.255 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: 2 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -3312.619589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.619589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.619589 (E_RNA) where: Base-Base interactions energy: -2333.438 where: short stacking energy: -955.627 Base-Backbone interact. energy: -3.549 local terms energy: -975.632805 where: bonds (distance) C4'-P energy: -181.053 bonds (distance) P-C4' energy: -166.214 flat angles C4'-P-C4' energy: -215.774 flat angles P-C4'-P energy: -129.267 tors. eta vs tors. theta energy: -283.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -3137.174155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.174155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.174155 (E_RNA) where: Base-Base interactions energy: -2161.621 where: short stacking energy: -935.296 Base-Backbone interact. energy: -2.025 local terms energy: -973.527648 where: bonds (distance) C4'-P energy: -180.035 bonds (distance) P-C4' energy: -177.955 flat angles C4'-P-C4' energy: -197.464 flat angles P-C4'-P energy: -137.912 tors. eta vs tors. theta energy: -280.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -2952.281279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.281279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.281279 (E_RNA) where: Base-Base interactions energy: -2057.280 where: short stacking energy: -893.317 Base-Backbone interact. energy: -1.143 local terms energy: -893.857958 where: bonds (distance) C4'-P energy: -176.060 bonds (distance) P-C4' energy: -176.489 flat angles C4'-P-C4' energy: -181.305 flat angles P-C4'-P energy: -125.303 tors. eta vs tors. theta energy: -234.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -2883.126458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.126458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.126458 (E_RNA) where: Base-Base interactions energy: -2025.532 where: short stacking energy: -862.505 Base-Backbone interact. energy: -4.111 local terms energy: -853.483087 where: bonds (distance) C4'-P energy: -139.975 bonds (distance) P-C4' energy: -166.709 flat angles C4'-P-C4' energy: -186.423 flat angles P-C4'-P energy: -117.531 tors. eta vs tors. theta energy: -242.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -2682.415722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.415722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.415722 (E_RNA) where: Base-Base interactions energy: -1890.697 where: short stacking energy: -759.240 Base-Backbone interact. energy: -5.011 local terms energy: -786.708238 where: bonds (distance) C4'-P energy: -150.347 bonds (distance) P-C4' energy: -160.060 flat angles C4'-P-C4' energy: -170.717 flat angles P-C4'-P energy: -110.127 tors. eta vs tors. theta energy: -195.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -2520.393695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.393695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.393695 (E_RNA) where: Base-Base interactions energy: -1712.369 where: short stacking energy: -749.551 Base-Backbone interact. energy: -2.123 local terms energy: -805.902249 where: bonds (distance) C4'-P energy: -148.727 bonds (distance) P-C4' energy: -158.761 flat angles C4'-P-C4' energy: -177.276 flat angles P-C4'-P energy: -123.089 tors. eta vs tors. theta energy: -198.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -2364.469989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.469989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.469989 (E_RNA) where: Base-Base interactions energy: -1617.153 where: short stacking energy: -704.947 Base-Backbone interact. energy: 1.100 local terms energy: -748.416800 where: bonds (distance) C4'-P energy: -155.974 bonds (distance) P-C4' energy: -143.439 flat angles C4'-P-C4' energy: -168.313 flat angles P-C4'-P energy: -115.898 tors. eta vs tors. theta energy: -164.793 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: 10 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1897.446100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.446100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.446100 (E_RNA) where: Base-Base interactions energy: -1300.696 where: short stacking energy: -585.552 Base-Backbone interact. energy: -0.053 local terms energy: -596.697078 where: bonds (distance) C4'-P energy: -117.550 bonds (distance) P-C4' energy: -131.002 flat angles C4'-P-C4' energy: -158.919 flat angles P-C4'-P energy: -90.448 tors. eta vs tors. theta energy: -98.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -1784.128533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.128533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.128533 (E_RNA) where: Base-Base interactions energy: -1160.692 where: short stacking energy: -511.623 Base-Backbone interact. energy: -0.979 local terms energy: -622.457957 where: bonds (distance) C4'-P energy: -138.276 bonds (distance) P-C4' energy: -163.333 flat angles C4'-P-C4' energy: -151.192 flat angles P-C4'-P energy: -70.490 tors. eta vs tors. theta energy: -99.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -1423.478505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.478505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.478505 (E_RNA) where: Base-Base interactions energy: -890.663 where: short stacking energy: -425.116 Base-Backbone interact. energy: 1.541 local terms energy: -534.357261 where: bonds (distance) C4'-P energy: -140.316 bonds (distance) P-C4' energy: -137.709 flat angles C4'-P-C4' energy: -122.035 flat angles P-C4'-P energy: -76.300 tors. eta vs tors. theta energy: -57.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -3333.529663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3333.529663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3333.529663 (E_RNA) where: Base-Base interactions energy: -2346.175 where: short stacking energy: -981.672 Base-Backbone interact. energy: -3.103 local terms energy: -984.251555 where: bonds (distance) C4'-P energy: -189.582 bonds (distance) P-C4' energy: -180.680 flat angles C4'-P-C4' energy: -205.615 flat angles P-C4'-P energy: -135.079 tors. eta vs tors. theta energy: -273.296 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: 1 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -3137.018956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3137.018956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3137.018956 (E_RNA) where: Base-Base interactions energy: -2165.284 where: short stacking energy: -940.257 Base-Backbone interact. energy: 2.015 local terms energy: -973.750302 where: bonds (distance) C4'-P energy: -176.099 bonds (distance) P-C4' energy: -175.400 flat angles C4'-P-C4' energy: -215.526 flat angles P-C4'-P energy: -136.366 tors. eta vs tors. theta energy: -270.360 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: 3, replica: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -2935.048057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2935.048057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2935.048057 (E_RNA) where: Base-Base interactions energy: -2046.593 where: short stacking energy: -868.071 Base-Backbone interact. energy: 1.899 local terms energy: -890.353280 where: bonds (distance) C4'-P energy: -161.505 bonds (distance) P-C4' energy: -157.201 flat angles C4'-P-C4' energy: -208.084 flat angles P-C4'-P energy: -131.405 tors. eta vs tors. theta energy: -232.158 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: 8 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -2882.675535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2882.675535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2882.675535 (E_RNA) where: Base-Base interactions energy: -1987.854 where: short stacking energy: -861.908 Base-Backbone interact. energy: 1.996 local terms energy: -896.817755 where: bonds (distance) C4'-P energy: -163.290 bonds (distance) P-C4' energy: -160.267 flat angles C4'-P-C4' energy: -198.955 flat angles P-C4'-P energy: -130.290 tors. eta vs tors. theta energy: -244.016 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: 327 Temperature: 1.100000 Total energy: -2652.940107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2652.940107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2652.940107 (E_RNA) where: Base-Base interactions energy: -1825.696 where: short stacking energy: -768.381 Base-Backbone interact. energy: -2.157 local terms energy: -825.087345 where: bonds (distance) C4'-P energy: -138.500 bonds (distance) P-C4' energy: -147.966 flat angles C4'-P-C4' energy: -185.471 flat angles P-C4'-P energy: -133.827 tors. eta vs tors. theta energy: -219.323 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: 327 Temperature: 1.150000 Total energy: -2490.834741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2490.834741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2490.834741 (E_RNA) where: Base-Base interactions energy: -1709.857 where: short stacking energy: -738.915 Base-Backbone interact. energy: 0.253 local terms energy: -781.230850 where: bonds (distance) C4'-P energy: -143.465 bonds (distance) P-C4' energy: -145.603 flat angles C4'-P-C4' energy: -197.264 flat angles P-C4'-P energy: -103.145 tors. eta vs tors. theta energy: -191.755 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: 3 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -2410.035937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2410.035937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2410.035937 (E_RNA) where: Base-Base interactions energy: -1642.975 where: short stacking energy: -732.117 Base-Backbone interact. energy: -1.637 local terms energy: -765.423286 where: bonds (distance) C4'-P energy: -151.528 bonds (distance) P-C4' energy: -151.138 flat angles C4'-P-C4' energy: -164.489 flat angles P-C4'-P energy: -108.631 tors. eta vs tors. theta energy: -189.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1918.592982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.592982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.592982 (E_RNA) where: Base-Base interactions energy: -1228.629 where: short stacking energy: -537.394 Base-Backbone interact. energy: -0.603 local terms energy: -689.361052 where: bonds (distance) C4'-P energy: -146.256 bonds (distance) P-C4' energy: -162.046 flat angles C4'-P-C4' energy: -157.538 flat angles P-C4'-P energy: -96.181 tors. eta vs tors. theta energy: -127.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -1710.885831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.885831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.885831 (E_RNA) where: Base-Base interactions energy: -1106.404 where: short stacking energy: -498.367 Base-Backbone interact. energy: -2.856 local terms energy: -601.625447 where: bonds (distance) C4'-P energy: -138.465 bonds (distance) P-C4' energy: -157.638 flat angles C4'-P-C4' energy: -122.408 flat angles P-C4'-P energy: -92.525 tors. eta vs tors. theta energy: -90.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -1463.487771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.487771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.487771 (E_RNA) where: Base-Base interactions energy: -949.891 where: short stacking energy: -443.742 Base-Backbone interact. energy: 2.100 local terms energy: -515.696965 where: bonds (distance) C4'-P energy: -124.674 bonds (distance) P-C4' energy: -146.651 flat angles C4'-P-C4' energy: -117.121 flat angles P-C4'-P energy: -60.438 tors. eta vs tors. theta energy: -66.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -3323.548781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.548781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.548781 (E_RNA) where: Base-Base interactions energy: -2350.109 where: short stacking energy: -994.143 Base-Backbone interact. energy: -5.611 local terms energy: -967.828463 where: bonds (distance) C4'-P energy: -166.840 bonds (distance) P-C4' energy: -176.438 flat angles C4'-P-C4' energy: -208.006 flat angles P-C4'-P energy: -141.673 tors. eta vs tors. theta energy: -274.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -3143.264972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3143.264972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3143.264972 (E_RNA) where: Base-Base interactions energy: -2184.955 where: short stacking energy: -938.836 Base-Backbone interact. energy: 0.938 local terms energy: -959.248525 where: bonds (distance) C4'-P energy: -177.331 bonds (distance) P-C4' energy: -175.031 flat angles C4'-P-C4' energy: -199.794 flat angles P-C4'-P energy: -130.256 tors. eta vs tors. theta energy: -276.836 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: 7 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -2925.388409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.388409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.388409 (E_RNA) where: Base-Base interactions energy: -2021.174 where: short stacking energy: -862.032 Base-Backbone interact. energy: -0.369 local terms energy: -903.846024 where: bonds (distance) C4'-P energy: -177.961 bonds (distance) P-C4' energy: -166.178 flat angles C4'-P-C4' energy: -186.707 flat angles P-C4'-P energy: -129.760 tors. eta vs tors. theta energy: -243.240 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: 8 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -2891.368892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.368892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.368892 (E_RNA) where: Base-Base interactions energy: -2011.231 where: short stacking energy: -853.246 Base-Backbone interact. energy: -5.303 local terms energy: -874.834821 where: bonds (distance) C4'-P energy: -145.641 bonds (distance) P-C4' energy: -174.944 flat angles C4'-P-C4' energy: -172.326 flat angles P-C4'-P energy: -134.379 tors. eta vs tors. theta energy: -247.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -2682.830850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.830850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.830850 (E_RNA) where: Base-Base interactions energy: -1865.269 where: short stacking energy: -783.867 Base-Backbone interact. energy: 0.281 local terms energy: -817.842836 where: bonds (distance) C4'-P energy: -138.137 bonds (distance) P-C4' energy: -161.183 flat angles C4'-P-C4' energy: -171.021 flat angles P-C4'-P energy: -123.626 tors. eta vs tors. theta energy: -223.875 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: 328 Temperature: 1.150000 Total energy: -2517.596075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.596075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.596075 (E_RNA) where: Base-Base interactions energy: -1715.290 where: short stacking energy: -728.653 Base-Backbone interact. energy: -1.069 local terms energy: -801.236727 where: bonds (distance) C4'-P energy: -141.488 bonds (distance) P-C4' energy: -171.734 flat angles C4'-P-C4' energy: -188.747 flat angles P-C4'-P energy: -110.510 tors. eta vs tors. theta energy: -188.758 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: 3 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -2343.225416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.225416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.225416 (E_RNA) where: Base-Base interactions energy: -1595.202 where: short stacking energy: -664.174 Base-Backbone interact. energy: -2.685 local terms energy: -745.338352 where: bonds (distance) C4'-P energy: -158.857 bonds (distance) P-C4' energy: -146.141 flat angles C4'-P-C4' energy: -169.788 flat angles P-C4'-P energy: -100.453 tors. eta vs tors. theta energy: -170.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1886.677446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.677446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.677446 (E_RNA) where: Base-Base interactions energy: -1207.126 where: short stacking energy: -530.290 Base-Backbone interact. energy: -2.050 local terms energy: -677.500884 where: bonds (distance) C4'-P energy: -162.020 bonds (distance) P-C4' energy: -169.206 flat angles C4'-P-C4' energy: -138.518 flat angles P-C4'-P energy: -94.253 tors. eta vs tors. theta energy: -113.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -1721.033038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.033038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.033038 (E_RNA) where: Base-Base interactions energy: -1118.056 where: short stacking energy: -507.064 Base-Backbone interact. energy: 0.416 local terms energy: -603.392307 where: bonds (distance) C4'-P energy: -134.996 bonds (distance) P-C4' energy: -139.540 flat angles C4'-P-C4' energy: -141.700 flat angles P-C4'-P energy: -96.619 tors. eta vs tors. theta energy: -90.538 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: 5 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -1461.351239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.351239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.351239 (E_RNA) where: Base-Base interactions energy: -920.493 where: short stacking energy: -415.176 Base-Backbone interact. energy: 3.018 local terms energy: -543.876278 where: bonds (distance) C4'-P energy: -140.004 bonds (distance) P-C4' energy: -130.946 flat angles C4'-P-C4' energy: -140.100 flat angles P-C4'-P energy: -75.512 tors. eta vs tors. theta energy: -57.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -3327.905483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3327.905483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3327.905483 (E_RNA) where: Base-Base interactions energy: -2323.581 where: short stacking energy: -976.435 Base-Backbone interact. energy: -2.118 local terms energy: -1002.206721 where: bonds (distance) C4'-P energy: -177.402 bonds (distance) P-C4' energy: -179.007 flat angles C4'-P-C4' energy: -214.230 flat angles P-C4'-P energy: -144.928 tors. eta vs tors. theta energy: -286.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -3138.305864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.305864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.305864 (E_RNA) where: Base-Base interactions energy: -2174.537 where: short stacking energy: -949.644 Base-Backbone interact. energy: -5.725 local terms energy: -958.043569 where: bonds (distance) C4'-P energy: -178.055 bonds (distance) P-C4' energy: -177.987 flat angles C4'-P-C4' energy: -199.553 flat angles P-C4'-P energy: -136.524 tors. eta vs tors. theta energy: -265.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -2978.632978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2978.632978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2978.632978 (E_RNA) where: Base-Base interactions energy: -2071.256 where: short stacking energy: -878.509 Base-Backbone interact. energy: -1.933 local terms energy: -905.443789 where: bonds (distance) C4'-P energy: -181.040 bonds (distance) P-C4' energy: -181.606 flat angles C4'-P-C4' energy: -204.657 flat angles P-C4'-P energy: -97.237 tors. eta vs tors. theta energy: -240.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -2913.949177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.949177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.949177 (E_RNA) where: Base-Base interactions energy: -2019.703 where: short stacking energy: -824.356 Base-Backbone interact. energy: -7.146 local terms energy: -887.100299 where: bonds (distance) C4'-P energy: -164.954 bonds (distance) P-C4' energy: -164.603 flat angles C4'-P-C4' energy: -192.067 flat angles P-C4'-P energy: -123.371 tors. eta vs tors. theta energy: -242.105 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: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -2671.790151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2671.790151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2671.790151 (E_RNA) where: Base-Base interactions energy: -1798.855 where: short stacking energy: -760.836 Base-Backbone interact. energy: -4.377 local terms energy: -868.558114 where: bonds (distance) C4'-P energy: -171.738 bonds (distance) P-C4' energy: -169.448 flat angles C4'-P-C4' energy: -176.714 flat angles P-C4'-P energy: -130.546 tors. eta vs tors. theta energy: -220.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -2522.961381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.961381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.961381 (E_RNA) where: Base-Base interactions energy: -1712.294 where: short stacking energy: -745.623 Base-Backbone interact. energy: 1.222 local terms energy: -811.889316 where: bonds (distance) C4'-P energy: -175.534 bonds (distance) P-C4' energy: -153.845 flat angles C4'-P-C4' energy: -173.421 flat angles P-C4'-P energy: -105.970 tors. eta vs tors. theta energy: -203.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -2350.772464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2350.772464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2350.772464 (E_RNA) where: Base-Base interactions energy: -1551.384 where: short stacking energy: -683.164 Base-Backbone interact. energy: -1.262 local terms energy: -798.125918 where: bonds (distance) C4'-P energy: -161.072 bonds (distance) P-C4' energy: -162.737 flat angles C4'-P-C4' energy: -168.155 flat angles P-C4'-P energy: -124.422 tors. eta vs tors. theta energy: -181.740 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: 10 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1935.702438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.702438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.702438 (E_RNA) where: Base-Base interactions energy: -1246.416 where: short stacking energy: -539.112 Base-Backbone interact. energy: -1.700 local terms energy: -687.586532 where: bonds (distance) C4'-P energy: -148.967 bonds (distance) P-C4' energy: -157.940 flat angles C4'-P-C4' energy: -164.551 flat angles P-C4'-P energy: -107.380 tors. eta vs tors. theta energy: -108.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -1727.572366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.572366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.572366 (E_RNA) where: Base-Base interactions energy: -1155.368 where: short stacking energy: -484.686 Base-Backbone interact. energy: 3.906 local terms energy: -576.110517 where: bonds (distance) C4'-P energy: -143.790 bonds (distance) P-C4' energy: -146.007 flat angles C4'-P-C4' energy: -144.341 flat angles P-C4'-P energy: -67.211 tors. eta vs tors. theta energy: -74.762 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: 10, replica: 5 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -1545.673794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.673794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.673794 (E_RNA) where: Base-Base interactions energy: -954.553 where: short stacking energy: -447.454 Base-Backbone interact. energy: 5.033 local terms energy: -596.153130 where: bonds (distance) C4'-P energy: -141.525 bonds (distance) P-C4' energy: -138.238 flat angles C4'-P-C4' energy: -147.920 flat angles P-C4'-P energy: -95.183 tors. eta vs tors. theta energy: -73.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -3300.930223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3300.930223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3300.930223 (E_RNA) where: Base-Base interactions energy: -2334.439 where: short stacking energy: -992.501 Base-Backbone interact. energy: -1.431 local terms energy: -965.060373 where: bonds (distance) C4'-P energy: -177.272 bonds (distance) P-C4' energy: -167.531 flat angles C4'-P-C4' energy: -205.758 flat angles P-C4'-P energy: -132.660 tors. eta vs tors. theta energy: -281.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -3177.335608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3177.335608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3177.335608 (E_RNA) where: Base-Base interactions energy: -2192.592 where: short stacking energy: -933.578 Base-Backbone interact. energy: -3.585 local terms energy: -981.158528 where: bonds (distance) C4'-P energy: -189.660 bonds (distance) P-C4' energy: -174.672 flat angles C4'-P-C4' energy: -200.115 flat angles P-C4'-P energy: -144.150 tors. eta vs tors. theta energy: -272.562 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: 7 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -2982.016891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2982.016891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2982.016891 (E_RNA) where: Base-Base interactions energy: -2025.942 where: short stacking energy: -867.699 Base-Backbone interact. energy: -4.338 local terms energy: -951.736371 where: bonds (distance) C4'-P energy: -175.636 bonds (distance) P-C4' energy: -179.257 flat angles C4'-P-C4' energy: -200.608 flat angles P-C4'-P energy: -138.962 tors. eta vs tors. theta energy: -257.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -2830.361995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2830.361995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2830.361995 (E_RNA) where: Base-Base interactions energy: -2011.545 where: short stacking energy: -799.445 Base-Backbone interact. energy: -1.650 local terms energy: -817.167444 where: bonds (distance) C4'-P energy: -170.052 bonds (distance) P-C4' energy: -155.731 flat angles C4'-P-C4' energy: -179.805 flat angles P-C4'-P energy: -107.888 tors. eta vs tors. theta energy: -203.692 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: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -2668.215916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.215916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.215916 (E_RNA) where: Base-Base interactions energy: -1813.953 where: short stacking energy: -755.632 Base-Backbone interact. energy: -2.783 local terms energy: -851.479890 where: bonds (distance) C4'-P energy: -158.898 bonds (distance) P-C4' energy: -165.824 flat angles C4'-P-C4' energy: -185.100 flat angles P-C4'-P energy: -125.839 tors. eta vs tors. theta energy: -215.820 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: 6, replica: 6 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -2481.529637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2481.529637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2481.529637 (E_RNA) where: Base-Base interactions energy: -1664.406 where: short stacking energy: -700.089 Base-Backbone interact. energy: -3.418 local terms energy: -813.706133 where: bonds (distance) C4'-P energy: -157.973 bonds (distance) P-C4' energy: -162.559 flat angles C4'-P-C4' energy: -188.570 flat angles P-C4'-P energy: -107.257 tors. eta vs tors. theta energy: -197.347 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: 330 Temperature: 1.200000 Total energy: -2399.862305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.862305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.862305 (E_RNA) where: Base-Base interactions energy: -1653.972 where: short stacking energy: -689.539 Base-Backbone interact. energy: 4.189 local terms energy: -750.079119 where: bonds (distance) C4'-P energy: -141.768 bonds (distance) P-C4' energy: -158.790 flat angles C4'-P-C4' energy: -178.509 flat angles P-C4'-P energy: -105.786 tors. eta vs tors. theta energy: -165.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1943.817237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1943.817237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1943.817237 (E_RNA) where: Base-Base interactions energy: -1263.566 where: short stacking energy: -534.491 Base-Backbone interact. energy: 3.887 local terms energy: -684.137976 where: bonds (distance) C4'-P energy: -146.542 bonds (distance) P-C4' energy: -142.983 flat angles C4'-P-C4' energy: -160.064 flat angles P-C4'-P energy: -112.664 tors. eta vs tors. theta energy: -121.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -1727.562543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.562543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.562543 (E_RNA) where: Base-Base interactions energy: -1126.483 where: short stacking energy: -491.556 Base-Backbone interact. energy: -0.643 local terms energy: -600.437006 where: bonds (distance) C4'-P energy: -133.128 bonds (distance) P-C4' energy: -150.159 flat angles C4'-P-C4' energy: -157.151 flat angles P-C4'-P energy: -86.384 tors. eta vs tors. theta energy: -73.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -1479.192100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.192100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.192100 (E_RNA) where: Base-Base interactions energy: -892.893 where: short stacking energy: -411.656 Base-Backbone interact. energy: -2.554 local terms energy: -583.745353 where: bonds (distance) C4'-P energy: -138.379 bonds (distance) P-C4' energy: -159.906 flat angles C4'-P-C4' energy: -144.546 flat angles P-C4'-P energy: -76.199 tors. eta vs tors. theta energy: -64.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -3283.067909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3283.067909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3283.067909 (E_RNA) where: Base-Base interactions energy: -2305.708 where: short stacking energy: -971.688 Base-Backbone interact. energy: -2.413 local terms energy: -974.946849 where: bonds (distance) C4'-P energy: -182.041 bonds (distance) P-C4' energy: -173.830 flat angles C4'-P-C4' energy: -197.100 flat angles P-C4'-P energy: -144.188 tors. eta vs tors. theta energy: -277.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -3175.276809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.276809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.276809 (E_RNA) where: Base-Base interactions energy: -2227.098 where: short stacking energy: -941.191 Base-Backbone interact. energy: 2.648 local terms energy: -950.827260 where: bonds (distance) C4'-P energy: -158.731 bonds (distance) P-C4' energy: -179.543 flat angles C4'-P-C4' energy: -211.833 flat angles P-C4'-P energy: -127.332 tors. eta vs tors. theta energy: -273.388 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: 3, replica: 7 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -2954.206527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.206527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.206527 (E_RNA) where: Base-Base interactions energy: -2049.626 where: short stacking energy: -880.522 Base-Backbone interact. energy: 1.839 local terms energy: -906.419411 where: bonds (distance) C4'-P energy: -161.877 bonds (distance) P-C4' energy: -176.916 flat angles C4'-P-C4' energy: -185.739 flat angles P-C4'-P energy: -138.831 tors. eta vs tors. theta energy: -243.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -2858.895775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2858.895775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2858.895775 (E_RNA) where: Base-Base interactions energy: -1982.643 where: short stacking energy: -791.654 Base-Backbone interact. energy: -2.413 local terms energy: -873.839809 where: bonds (distance) C4'-P energy: -164.715 bonds (distance) P-C4' energy: -175.952 flat angles C4'-P-C4' energy: -205.952 flat angles P-C4'-P energy: -113.385 tors. eta vs tors. theta energy: -213.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -2705.893668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.893668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.893668 (E_RNA) where: Base-Base interactions energy: -1849.076 where: short stacking energy: -795.418 Base-Backbone interact. energy: -2.415 local terms energy: -854.402618 where: bonds (distance) C4'-P energy: -156.888 bonds (distance) P-C4' energy: -165.169 flat angles C4'-P-C4' energy: -173.155 flat angles P-C4'-P energy: -116.683 tors. eta vs tors. theta energy: -242.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -2555.189679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.189679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.189679 (E_RNA) where: Base-Base interactions energy: -1752.290 where: short stacking energy: -750.660 Base-Backbone interact. energy: 0.785 local terms energy: -803.684596 where: bonds (distance) C4'-P energy: -145.187 bonds (distance) P-C4' energy: -157.068 flat angles C4'-P-C4' energy: -168.880 flat angles P-C4'-P energy: -109.023 tors. eta vs tors. theta energy: -223.527 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: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -2321.947963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2321.947963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2321.947963 (E_RNA) where: Base-Base interactions energy: -1564.417 where: short stacking energy: -697.555 Base-Backbone interact. energy: 0.631 local terms energy: -758.161970 where: bonds (distance) C4'-P energy: -115.000 bonds (distance) P-C4' energy: -154.903 flat angles C4'-P-C4' energy: -187.591 flat angles P-C4'-P energy: -113.803 tors. eta vs tors. theta energy: -186.866 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: 8, replica: 10 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1920.180827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1920.180827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1920.180827 (E_RNA) where: Base-Base interactions energy: -1293.371 where: short stacking energy: -572.887 Base-Backbone interact. energy: 0.995 local terms energy: -627.804404 where: bonds (distance) C4'-P energy: -137.334 bonds (distance) P-C4' energy: -152.630 flat angles C4'-P-C4' energy: -135.217 flat angles P-C4'-P energy: -110.974 tors. eta vs tors. theta energy: -91.649 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: 9 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -1717.972085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.972085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.972085 (E_RNA) where: Base-Base interactions energy: -1114.612 where: short stacking energy: -474.773 Base-Backbone interact. energy: -0.131 local terms energy: -603.229407 where: bonds (distance) C4'-P energy: -122.099 bonds (distance) P-C4' energy: -155.851 flat angles C4'-P-C4' energy: -148.667 flat angles P-C4'-P energy: -95.574 tors. eta vs tors. theta energy: -81.038 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: 5 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -1517.146556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.146556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.146556 (E_RNA) where: Base-Base interactions energy: -960.250 where: short stacking energy: -433.651 Base-Backbone interact. energy: 4.413 local terms energy: -561.309992 where: bonds (distance) C4'-P energy: -126.412 bonds (distance) P-C4' energy: -153.085 flat angles C4'-P-C4' energy: -152.491 flat angles P-C4'-P energy: -79.510 tors. eta vs tors. theta energy: -49.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -3275.194424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3275.194424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3275.194424 (E_RNA) where: Base-Base interactions energy: -2288.001 where: short stacking energy: -956.577 Base-Backbone interact. energy: -3.964 local terms energy: -983.228967 where: bonds (distance) C4'-P energy: -188.425 bonds (distance) P-C4' energy: -190.773 flat angles C4'-P-C4' energy: -199.484 flat angles P-C4'-P energy: -132.286 tors. eta vs tors. theta energy: -272.261 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: 332 Temperature: 0.950000 Total energy: -3126.772081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.772081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.772081 (E_RNA) where: Base-Base interactions energy: -2168.246 where: short stacking energy: -934.361 Base-Backbone interact. energy: -2.778 local terms energy: -955.748339 where: bonds (distance) C4'-P energy: -183.889 bonds (distance) P-C4' energy: -175.690 flat angles C4'-P-C4' energy: -202.491 flat angles P-C4'-P energy: -131.090 tors. eta vs tors. theta energy: -262.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -2911.511512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.511512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.511512 (E_RNA) where: Base-Base interactions energy: -2041.502 where: short stacking energy: -860.921 Base-Backbone interact. energy: -4.025 local terms energy: -865.985011 where: bonds (distance) C4'-P energy: -167.976 bonds (distance) P-C4' energy: -154.710 flat angles C4'-P-C4' energy: -187.273 flat angles P-C4'-P energy: -124.522 tors. eta vs tors. theta energy: -231.505 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: 8 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -2869.330480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.330480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.330480 (E_RNA) where: Base-Base interactions energy: -1983.308 where: short stacking energy: -841.766 Base-Backbone interact. energy: -2.219 local terms energy: -883.803527 where: bonds (distance) C4'-P energy: -165.354 bonds (distance) P-C4' energy: -162.623 flat angles C4'-P-C4' energy: -207.719 flat angles P-C4'-P energy: -118.848 tors. eta vs tors. theta energy: -229.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -2745.244297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.244297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.244297 (E_RNA) where: Base-Base interactions energy: -1878.083 where: short stacking energy: -830.367 Base-Backbone interact. energy: -2.387 local terms energy: -864.774729 where: bonds (distance) C4'-P energy: -148.483 bonds (distance) P-C4' energy: -151.363 flat angles C4'-P-C4' energy: -200.025 flat angles P-C4'-P energy: -126.301 tors. eta vs tors. theta energy: -238.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -2451.097995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2451.097995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2451.097995 (E_RNA) where: Base-Base interactions energy: -1678.559 where: short stacking energy: -722.220 Base-Backbone interact. energy: 0.828 local terms energy: -773.366687 where: bonds (distance) C4'-P energy: -150.527 bonds (distance) P-C4' energy: -164.081 flat angles C4'-P-C4' energy: -164.496 flat angles P-C4'-P energy: -107.607 tors. eta vs tors. theta energy: -186.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -2334.592500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.592500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.592500 (E_RNA) where: Base-Base interactions energy: -1593.077 where: short stacking energy: -692.777 Base-Backbone interact. energy: -3.098 local terms energy: -738.418132 where: bonds (distance) C4'-P energy: -131.610 bonds (distance) P-C4' energy: -154.695 flat angles C4'-P-C4' energy: -165.615 flat angles P-C4'-P energy: -111.446 tors. eta vs tors. theta energy: -175.052 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: 8, replica: 10 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -2015.572516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2015.572516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2015.572516 (E_RNA) where: Base-Base interactions energy: -1351.481 where: short stacking energy: -579.388 Base-Backbone interact. energy: -1.214 local terms energy: -662.877168 where: bonds (distance) C4'-P energy: -135.867 bonds (distance) P-C4' energy: -166.415 flat angles C4'-P-C4' energy: -153.036 flat angles P-C4'-P energy: -96.485 tors. eta vs tors. theta energy: -111.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -1789.026718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.026718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.026718 (E_RNA) where: Base-Base interactions energy: -1127.228 where: short stacking energy: -489.563 Base-Backbone interact. energy: 8.289 local terms energy: -670.088376 where: bonds (distance) C4'-P energy: -133.811 bonds (distance) P-C4' energy: -151.221 flat angles C4'-P-C4' energy: -141.899 flat angles P-C4'-P energy: -116.669 tors. eta vs tors. theta energy: -126.488 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: 5 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -1484.946746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.946746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.946746 (E_RNA) where: Base-Base interactions energy: -935.279 where: short stacking energy: -411.485 Base-Backbone interact. energy: -3.669 local terms energy: -545.998587 where: bonds (distance) C4'-P energy: -125.220 bonds (distance) P-C4' energy: -141.665 flat angles C4'-P-C4' energy: -142.590 flat angles P-C4'-P energy: -87.863 tors. eta vs tors. theta energy: -48.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -3279.134918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.134918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.134918 (E_RNA) where: Base-Base interactions energy: -2304.427 where: short stacking energy: -995.740 Base-Backbone interact. energy: -4.598 local terms energy: -970.109901 where: bonds (distance) C4'-P energy: -170.770 bonds (distance) P-C4' energy: -185.754 flat angles C4'-P-C4' energy: -198.667 flat angles P-C4'-P energy: -137.338 tors. eta vs tors. theta energy: -277.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -3152.553179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3152.553179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3152.553179 (E_RNA) where: Base-Base interactions energy: -2184.130 where: short stacking energy: -931.809 Base-Backbone interact. energy: -3.290 local terms energy: -965.133531 where: bonds (distance) C4'-P energy: -178.897 bonds (distance) P-C4' energy: -175.885 flat angles C4'-P-C4' energy: -199.022 flat angles P-C4'-P energy: -130.349 tors. eta vs tors. theta energy: -280.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -2925.521983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.521983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.521983 (E_RNA) where: Base-Base interactions energy: -1998.250 where: short stacking energy: -840.046 Base-Backbone interact. energy: 1.154 local terms energy: -928.426095 where: bonds (distance) C4'-P energy: -180.914 bonds (distance) P-C4' energy: -189.695 flat angles C4'-P-C4' energy: -196.710 flat angles P-C4'-P energy: -115.457 tors. eta vs tors. theta energy: -245.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -2876.826399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.826399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.826399 (E_RNA) where: Base-Base interactions energy: -1994.058 where: short stacking energy: -835.531 Base-Backbone interact. energy: 0.416 local terms energy: -883.184377 where: bonds (distance) C4'-P energy: -169.671 bonds (distance) P-C4' energy: -167.950 flat angles C4'-P-C4' energy: -201.463 flat angles P-C4'-P energy: -114.992 tors. eta vs tors. theta energy: -229.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -2693.706206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.706206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.706206 (E_RNA) where: Base-Base interactions energy: -1814.564 where: short stacking energy: -778.406 Base-Backbone interact. energy: -1.828 local terms energy: -877.313587 where: bonds (distance) C4'-P energy: -168.459 bonds (distance) P-C4' energy: -170.790 flat angles C4'-P-C4' energy: -194.833 flat angles P-C4'-P energy: -120.760 tors. eta vs tors. theta energy: -222.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -2489.544973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2489.544973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2489.544973 (E_RNA) where: Base-Base interactions energy: -1690.954 where: short stacking energy: -755.251 Base-Backbone interact. energy: 3.930 local terms energy: -802.521444 where: bonds (distance) C4'-P energy: -157.305 bonds (distance) P-C4' energy: -157.946 flat angles C4'-P-C4' energy: -184.844 flat angles P-C4'-P energy: -100.862 tors. eta vs tors. theta energy: -201.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -2301.418136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2301.418136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2301.418136 (E_RNA) where: Base-Base interactions energy: -1522.319 where: short stacking energy: -656.277 Base-Backbone interact. energy: -1.348 local terms energy: -777.751316 where: bonds (distance) C4'-P energy: -147.528 bonds (distance) P-C4' energy: -161.540 flat angles C4'-P-C4' energy: -176.083 flat angles P-C4'-P energy: -115.286 tors. eta vs tors. theta energy: -177.314 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: 10 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -1953.504595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.504595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.504595 (E_RNA) where: Base-Base interactions energy: -1295.455 where: short stacking energy: -559.834 Base-Backbone interact. energy: 6.394 local terms energy: -664.444070 where: bonds (distance) C4'-P energy: -155.873 bonds (distance) P-C4' energy: -150.880 flat angles C4'-P-C4' energy: -161.949 flat angles P-C4'-P energy: -104.442 tors. eta vs tors. theta energy: -91.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -1902.316224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1902.316224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1902.316224 (E_RNA) where: Base-Base interactions energy: -1251.965 where: short stacking energy: -544.315 Base-Backbone interact. energy: -2.024 local terms energy: -648.327015 where: bonds (distance) C4'-P energy: -148.444 bonds (distance) P-C4' energy: -149.496 flat angles C4'-P-C4' energy: -133.986 flat angles P-C4'-P energy: -103.502 tors. eta vs tors. theta energy: -112.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -1408.378637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.378637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.378637 (E_RNA) where: Base-Base interactions energy: -880.636 where: short stacking energy: -401.139 Base-Backbone interact. energy: -2.392 local terms energy: -525.350776 where: bonds (distance) C4'-P energy: -129.862 bonds (distance) P-C4' energy: -132.699 flat angles C4'-P-C4' energy: -142.430 flat angles P-C4'-P energy: -77.437 tors. eta vs tors. theta energy: -42.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -3268.448392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3268.448392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3268.448392 (E_RNA) where: Base-Base interactions energy: -2313.467 where: short stacking energy: -949.929 Base-Backbone interact. energy: -5.003 local terms energy: -949.977893 where: bonds (distance) C4'-P energy: -180.501 bonds (distance) P-C4' energy: -183.142 flat angles C4'-P-C4' energy: -194.584 flat angles P-C4'-P energy: -124.250 tors. eta vs tors. theta energy: -267.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -3157.189391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.189391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.189391 (E_RNA) where: Base-Base interactions energy: -2201.760 where: short stacking energy: -930.961 Base-Backbone interact. energy: -4.153 local terms energy: -951.275791 where: bonds (distance) C4'-P energy: -155.662 bonds (distance) P-C4' energy: -180.990 flat angles C4'-P-C4' energy: -201.233 flat angles P-C4'-P energy: -127.591 tors. eta vs tors. theta energy: -285.800 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: 7 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -2959.259630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2959.259630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2959.259630 (E_RNA) where: Base-Base interactions energy: -2063.167 where: short stacking energy: -860.052 Base-Backbone interact. energy: 1.733 local terms energy: -897.825125 where: bonds (distance) C4'-P energy: -168.457 bonds (distance) P-C4' energy: -160.395 flat angles C4'-P-C4' energy: -186.633 flat angles P-C4'-P energy: -125.982 tors. eta vs tors. theta energy: -256.358 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: 8 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -2850.677829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.677829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.677829 (E_RNA) where: Base-Base interactions energy: -2014.713 where: short stacking energy: -840.401 Base-Backbone interact. energy: -3.400 local terms energy: -832.565242 where: bonds (distance) C4'-P energy: -168.504 bonds (distance) P-C4' energy: -145.674 flat angles C4'-P-C4' energy: -180.147 flat angles P-C4'-P energy: -109.200 tors. eta vs tors. theta energy: -229.040 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: 5, replica: 4 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -2684.465738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2684.465738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2684.465738 (E_RNA) where: Base-Base interactions energy: -1844.035 where: short stacking energy: -769.039 Base-Backbone interact. energy: -2.306 local terms energy: -838.124950 where: bonds (distance) C4'-P energy: -154.474 bonds (distance) P-C4' energy: -177.414 flat angles C4'-P-C4' energy: -171.725 flat angles P-C4'-P energy: -117.886 tors. eta vs tors. theta energy: -216.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -2533.080808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2533.080808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2533.080808 (E_RNA) where: Base-Base interactions energy: -1727.628 where: short stacking energy: -786.458 Base-Backbone interact. energy: -0.385 local terms energy: -805.067735 where: bonds (distance) C4'-P energy: -145.874 bonds (distance) P-C4' energy: -149.374 flat angles C4'-P-C4' energy: -181.121 flat angles P-C4'-P energy: -113.385 tors. eta vs tors. theta energy: -215.314 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: 7, replica: 3 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -2263.812390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2263.812390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2263.812390 (E_RNA) where: Base-Base interactions energy: -1489.450 where: short stacking energy: -623.663 Base-Backbone interact. energy: 1.394 local terms energy: -775.755781 where: bonds (distance) C4'-P energy: -159.008 bonds (distance) P-C4' energy: -165.896 flat angles C4'-P-C4' energy: -181.334 flat angles P-C4'-P energy: -104.884 tors. eta vs tors. theta energy: -164.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1980.019291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1980.019291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1980.019291 (E_RNA) where: Base-Base interactions energy: -1312.783 where: short stacking energy: -565.239 Base-Backbone interact. energy: -3.406 local terms energy: -663.830461 where: bonds (distance) C4'-P energy: -147.282 bonds (distance) P-C4' energy: -148.665 flat angles C4'-P-C4' energy: -165.462 flat angles P-C4'-P energy: -86.173 tors. eta vs tors. theta energy: -116.250 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: 9 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -1828.410654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.410654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.410654 (E_RNA) where: Base-Base interactions energy: -1204.391 where: short stacking energy: -509.544 Base-Backbone interact. energy: -0.230 local terms energy: -623.789703 where: bonds (distance) C4'-P energy: -165.005 bonds (distance) P-C4' energy: -135.821 flat angles C4'-P-C4' energy: -131.543 flat angles P-C4'-P energy: -91.031 tors. eta vs tors. theta energy: -100.389 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: 5 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -1416.933750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.933750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.933750 (E_RNA) where: Base-Base interactions energy: -888.284 where: short stacking energy: -383.477 Base-Backbone interact. energy: -3.436 local terms energy: -525.213301 where: bonds (distance) C4'-P energy: -140.917 bonds (distance) P-C4' energy: -138.784 flat angles C4'-P-C4' energy: -133.695 flat angles P-C4'-P energy: -69.109 tors. eta vs tors. theta energy: -42.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -3240.839545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3240.839545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3240.839545 (E_RNA) where: Base-Base interactions energy: -2294.608 where: short stacking energy: -968.605 Base-Backbone interact. energy: -2.139 local terms energy: -944.092352 where: bonds (distance) C4'-P energy: -173.479 bonds (distance) P-C4' energy: -166.448 flat angles C4'-P-C4' energy: -199.404 flat angles P-C4'-P energy: -126.665 tors. eta vs tors. theta energy: -278.096 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: 1 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -3205.997772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3205.997772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3205.997772 (E_RNA) where: Base-Base interactions energy: -2230.820 where: short stacking energy: -955.609 Base-Backbone interact. energy: -4.860 local terms energy: -970.317597 where: bonds (distance) C4'-P energy: -172.480 bonds (distance) P-C4' energy: -183.010 flat angles C4'-P-C4' energy: -204.517 flat angles P-C4'-P energy: -136.043 tors. eta vs tors. theta energy: -274.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -2962.842751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2962.842751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2962.842751 (E_RNA) where: Base-Base interactions energy: -2059.222 where: short stacking energy: -861.319 Base-Backbone interact. energy: -2.710 local terms energy: -900.911026 where: bonds (distance) C4'-P energy: -183.553 bonds (distance) P-C4' energy: -148.194 flat angles C4'-P-C4' energy: -196.776 flat angles P-C4'-P energy: -126.059 tors. eta vs tors. theta energy: -246.330 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: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -2920.753858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.753858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.753858 (E_RNA) where: Base-Base interactions energy: -2046.898 where: short stacking energy: -809.884 Base-Backbone interact. energy: -3.958 local terms energy: -869.897196 where: bonds (distance) C4'-P energy: -172.883 bonds (distance) P-C4' energy: -161.774 flat angles C4'-P-C4' energy: -183.807 flat angles P-C4'-P energy: -126.351 tors. eta vs tors. theta energy: -225.083 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: 4 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -2691.643153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.643153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.643153 (E_RNA) where: Base-Base interactions energy: -1892.136 where: short stacking energy: -794.605 Base-Backbone interact. energy: 1.637 local terms energy: -801.143603 where: bonds (distance) C4'-P energy: -134.806 bonds (distance) P-C4' energy: -150.141 flat angles C4'-P-C4' energy: -176.536 flat angles P-C4'-P energy: -104.860 tors. eta vs tors. theta energy: -234.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -2530.525086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2530.525086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2530.525086 (E_RNA) where: Base-Base interactions energy: -1741.012 where: short stacking energy: -774.852 Base-Backbone interact. energy: 2.043 local terms energy: -791.556268 where: bonds (distance) C4'-P energy: -146.926 bonds (distance) P-C4' energy: -155.581 flat angles C4'-P-C4' energy: -184.703 flat angles P-C4'-P energy: -104.676 tors. eta vs tors. theta energy: -199.670 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: 7, replica: 3 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -2317.500647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2317.500647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2317.500647 (E_RNA) where: Base-Base interactions energy: -1582.845 where: short stacking energy: -692.343 Base-Backbone interact. energy: -3.113 local terms energy: -731.542914 where: bonds (distance) C4'-P energy: -132.952 bonds (distance) P-C4' energy: -141.387 flat angles C4'-P-C4' energy: -173.966 flat angles P-C4'-P energy: -96.330 tors. eta vs tors. theta energy: -186.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1947.533819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1947.533819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1947.533819 (E_RNA) where: Base-Base interactions energy: -1262.386 where: short stacking energy: -551.467 Base-Backbone interact. energy: -0.735 local terms energy: -684.412133 where: bonds (distance) C4'-P energy: -150.297 bonds (distance) P-C4' energy: -173.167 flat angles C4'-P-C4' energy: -162.548 flat angles P-C4'-P energy: -85.535 tors. eta vs tors. theta energy: -112.865 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: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -1739.011789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.011789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.011789 (E_RNA) where: Base-Base interactions energy: -1140.498 where: short stacking energy: -505.194 Base-Backbone interact. energy: 6.089 local terms energy: -604.602594 where: bonds (distance) C4'-P energy: -137.071 bonds (distance) P-C4' energy: -150.457 flat angles C4'-P-C4' energy: -137.386 flat angles P-C4'-P energy: -90.388 tors. eta vs tors. theta energy: -89.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -1489.463050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.463050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.463050 (E_RNA) where: Base-Base interactions energy: -911.637 where: short stacking energy: -404.636 Base-Backbone interact. energy: -0.559 local terms energy: -577.266929 where: bonds (distance) C4'-P energy: -135.294 bonds (distance) P-C4' energy: -149.405 flat angles C4'-P-C4' energy: -148.500 flat angles P-C4'-P energy: -87.383 tors. eta vs tors. theta energy: -56.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -3283.092546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3283.092546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3283.092546 (E_RNA) where: Base-Base interactions energy: -2326.362 where: short stacking energy: -968.375 Base-Backbone interact. energy: -3.632 local terms energy: -953.097616 where: bonds (distance) C4'-P energy: -165.088 bonds (distance) P-C4' energy: -168.273 flat angles C4'-P-C4' energy: -211.780 flat angles P-C4'-P energy: -142.903 tors. eta vs tors. theta energy: -265.054 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: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -3186.083266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.083266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.083266 (E_RNA) where: Base-Base interactions energy: -2241.469 where: short stacking energy: -955.323 Base-Backbone interact. energy: -3.142 local terms energy: -941.471927 where: bonds (distance) C4'-P energy: -162.243 bonds (distance) P-C4' energy: -183.990 flat angles C4'-P-C4' energy: -192.821 flat angles P-C4'-P energy: -118.770 tors. eta vs tors. theta energy: -283.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -2951.248370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2951.248370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2951.248370 (E_RNA) where: Base-Base interactions energy: -2039.488 where: short stacking energy: -834.023 Base-Backbone interact. energy: -9.620 local terms energy: -902.140443 where: bonds (distance) C4'-P energy: -159.801 bonds (distance) P-C4' energy: -176.472 flat angles C4'-P-C4' energy: -199.465 flat angles P-C4'-P energy: -133.906 tors. eta vs tors. theta energy: -232.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -2792.745628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2792.745628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2792.745628 (E_RNA) where: Base-Base interactions energy: -1910.965 where: short stacking energy: -793.362 Base-Backbone interact. energy: 1.865 local terms energy: -883.645285 where: bonds (distance) C4'-P energy: -148.491 bonds (distance) P-C4' energy: -180.294 flat angles C4'-P-C4' energy: -193.816 flat angles P-C4'-P energy: -132.921 tors. eta vs tors. theta energy: -228.122 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: 4 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -2738.493363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.493363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.493363 (E_RNA) where: Base-Base interactions energy: -1896.038 where: short stacking energy: -825.779 Base-Backbone interact. energy: 1.151 local terms energy: -843.606226 where: bonds (distance) C4'-P energy: -151.110 bonds (distance) P-C4' energy: -172.736 flat angles C4'-P-C4' energy: -166.597 flat angles P-C4'-P energy: -109.326 tors. eta vs tors. theta energy: -243.836 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: 6 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -2520.000149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.000149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.000149 (E_RNA) where: Base-Base interactions energy: -1699.387 where: short stacking energy: -743.958 Base-Backbone interact. energy: -4.491 local terms energy: -816.122584 where: bonds (distance) C4'-P energy: -143.864 bonds (distance) P-C4' energy: -170.949 flat angles C4'-P-C4' energy: -184.068 flat angles P-C4'-P energy: -114.229 tors. eta vs tors. theta energy: -203.011 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: 3 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -2357.476968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.476968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.476968 (E_RNA) where: Base-Base interactions energy: -1594.318 where: short stacking energy: -702.288 Base-Backbone interact. energy: -0.425 local terms energy: -762.734520 where: bonds (distance) C4'-P energy: -119.944 bonds (distance) P-C4' energy: -169.348 flat angles C4'-P-C4' energy: -168.578 flat angles P-C4'-P energy: -112.651 tors. eta vs tors. theta energy: -192.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1922.600790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1922.600790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1922.600790 (E_RNA) where: Base-Base interactions energy: -1301.745 where: short stacking energy: -569.208 Base-Backbone interact. energy: -3.240 local terms energy: -617.615586 where: bonds (distance) C4'-P energy: -113.890 bonds (distance) P-C4' energy: -140.294 flat angles C4'-P-C4' energy: -147.146 flat angles P-C4'-P energy: -98.294 tors. eta vs tors. theta energy: -117.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -1741.800743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.800743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.800743 (E_RNA) where: Base-Base interactions energy: -1112.313 where: short stacking energy: -515.538 Base-Backbone interact. energy: 0.815 local terms energy: -630.303075 where: bonds (distance) C4'-P energy: -151.366 bonds (distance) P-C4' energy: -157.992 flat angles C4'-P-C4' energy: -142.882 flat angles P-C4'-P energy: -89.922 tors. eta vs tors. theta energy: -88.141 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: 5 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -1494.729770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.729770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.729770 (E_RNA) where: Base-Base interactions energy: -932.097 where: short stacking energy: -399.965 Base-Backbone interact. energy: -2.294 local terms energy: -560.338405 where: bonds (distance) C4'-P energy: -134.025 bonds (distance) P-C4' energy: -148.911 flat angles C4'-P-C4' energy: -140.067 flat angles P-C4'-P energy: -76.210 tors. eta vs tors. theta energy: -61.124 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: 1, replica: 2 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -3290.741650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3290.741650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3290.741650 (E_RNA) where: Base-Base interactions energy: -2304.138 where: short stacking energy: -938.325 Base-Backbone interact. energy: -6.045 local terms energy: -980.559420 where: bonds (distance) C4'-P energy: -184.696 bonds (distance) P-C4' energy: -179.922 flat angles C4'-P-C4' energy: -214.051 flat angles P-C4'-P energy: -140.143 tors. eta vs tors. theta energy: -261.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -3139.929807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3139.929807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3139.929807 (E_RNA) where: Base-Base interactions energy: -2166.172 where: short stacking energy: -938.379 Base-Backbone interact. energy: -0.112 local terms energy: -973.645694 where: bonds (distance) C4'-P energy: -180.457 bonds (distance) P-C4' energy: -170.899 flat angles C4'-P-C4' energy: -209.157 flat angles P-C4'-P energy: -138.322 tors. eta vs tors. theta energy: -274.810 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: 3, replica: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -2971.878610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2971.878610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2971.878610 (E_RNA) where: Base-Base interactions energy: -2062.414 where: short stacking energy: -844.727 Base-Backbone interact. energy: -0.890 local terms energy: -908.574669 where: bonds (distance) C4'-P energy: -158.208 bonds (distance) P-C4' energy: -170.237 flat angles C4'-P-C4' energy: -208.874 flat angles P-C4'-P energy: -133.384 tors. eta vs tors. theta energy: -237.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -2857.197512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.197512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.197512 (E_RNA) where: Base-Base interactions energy: -1974.245 where: short stacking energy: -826.491 Base-Backbone interact. energy: 7.173 local terms energy: -890.125607 where: bonds (distance) C4'-P energy: -154.654 bonds (distance) P-C4' energy: -155.123 flat angles C4'-P-C4' energy: -204.332 flat angles P-C4'-P energy: -131.195 tors. eta vs tors. theta energy: -244.821 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: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -2724.115024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.115024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.115024 (E_RNA) where: Base-Base interactions energy: -1871.487 where: short stacking energy: -791.624 Base-Backbone interact. energy: 0.636 local terms energy: -853.264419 where: bonds (distance) C4'-P energy: -131.382 bonds (distance) P-C4' energy: -161.979 flat angles C4'-P-C4' energy: -198.041 flat angles P-C4'-P energy: -124.530 tors. eta vs tors. theta energy: -237.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -2544.130743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.130743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.130743 (E_RNA) where: Base-Base interactions energy: -1741.912 where: short stacking energy: -773.776 Base-Backbone interact. energy: -0.865 local terms energy: -801.353269 where: bonds (distance) C4'-P energy: -140.754 bonds (distance) P-C4' energy: -161.774 flat angles C4'-P-C4' energy: -190.396 flat angles P-C4'-P energy: -112.561 tors. eta vs tors. theta energy: -195.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -2360.623819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2360.623819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2360.623819 (E_RNA) where: Base-Base interactions energy: -1573.320 where: short stacking energy: -696.723 Base-Backbone interact. energy: -3.407 local terms energy: -783.896774 where: bonds (distance) C4'-P energy: -143.217 bonds (distance) P-C4' energy: -164.755 flat angles C4'-P-C4' energy: -170.850 flat angles P-C4'-P energy: -107.302 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: 8, replica: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1979.751240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.751240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.751240 (E_RNA) where: Base-Base interactions energy: -1299.768 where: short stacking energy: -574.014 Base-Backbone interact. energy: -2.491 local terms energy: -677.492217 where: bonds (distance) C4'-P energy: -159.445 bonds (distance) P-C4' energy: -146.402 flat angles C4'-P-C4' energy: -150.288 flat angles P-C4'-P energy: -91.807 tors. eta vs tors. theta energy: -129.550 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: 9, replica: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -1763.306914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.306914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.306914 (E_RNA) where: Base-Base interactions energy: -1139.428 where: short stacking energy: -493.208 Base-Backbone interact. energy: -3.432 local terms energy: -620.446506 where: bonds (distance) C4'-P energy: -127.055 bonds (distance) P-C4' energy: -154.502 flat angles C4'-P-C4' energy: -147.854 flat angles P-C4'-P energy: -85.637 tors. eta vs tors. theta energy: -105.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -1506.745707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.745707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.745707 (E_RNA) where: Base-Base interactions energy: -950.449 where: short stacking energy: -421.687 Base-Backbone interact. energy: 1.928 local terms energy: -558.224975 where: bonds (distance) C4'-P energy: -138.636 bonds (distance) P-C4' energy: -141.250 flat angles C4'-P-C4' energy: -144.178 flat angles P-C4'-P energy: -88.763 tors. eta vs tors. theta energy: -45.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -3304.332787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.332787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.332787 (E_RNA) where: Base-Base interactions energy: -2308.818 where: short stacking energy: -976.707 Base-Backbone interact. energy: 1.310 local terms energy: -996.824538 where: bonds (distance) C4'-P energy: -174.354 bonds (distance) P-C4' energy: -185.158 flat angles C4'-P-C4' energy: -201.665 flat angles P-C4'-P energy: -151.631 tors. eta vs tors. theta energy: -284.017 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: 1 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -3172.682596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.682596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.682596 (E_RNA) where: Base-Base interactions energy: -2207.725 where: short stacking energy: -933.522 Base-Backbone interact. energy: -4.121 local terms energy: -960.836531 where: bonds (distance) C4'-P energy: -171.056 bonds (distance) P-C4' energy: -186.067 flat angles C4'-P-C4' energy: -207.657 flat angles P-C4'-P energy: -127.929 tors. eta vs tors. theta energy: -268.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -3007.081722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3007.081722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3007.081722 (E_RNA) where: Base-Base interactions energy: -2118.144 where: short stacking energy: -871.824 Base-Backbone interact. energy: -3.617 local terms energy: -885.320657 where: bonds (distance) C4'-P energy: -152.024 bonds (distance) P-C4' energy: -176.350 flat angles C4'-P-C4' energy: -191.871 flat angles P-C4'-P energy: -121.736 tors. eta vs tors. theta energy: -243.340 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: 7 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -2913.137452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.137452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.137452 (E_RNA) where: Base-Base interactions energy: -2020.427 where: short stacking energy: -846.715 Base-Backbone interact. energy: -3.013 local terms energy: -889.698046 where: bonds (distance) C4'-P energy: -162.252 bonds (distance) P-C4' energy: -157.284 flat angles C4'-P-C4' energy: -201.541 flat angles P-C4'-P energy: -116.342 tors. eta vs tors. theta energy: -252.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -2740.939963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.939963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.939963 (E_RNA) where: Base-Base interactions energy: -1906.573 where: short stacking energy: -821.075 Base-Backbone interact. energy: -1.351 local terms energy: -833.016057 where: bonds (distance) C4'-P energy: -136.146 bonds (distance) P-C4' energy: -166.601 flat angles C4'-P-C4' energy: -180.068 flat angles P-C4'-P energy: -97.602 tors. eta vs tors. theta energy: -252.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -2495.993865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.993865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.993865 (E_RNA) where: Base-Base interactions energy: -1729.348 where: short stacking energy: -752.279 Base-Backbone interact. energy: 0.270 local terms energy: -766.915753 where: bonds (distance) C4'-P energy: -134.325 bonds (distance) P-C4' energy: -147.888 flat angles C4'-P-C4' energy: -175.351 flat angles P-C4'-P energy: -105.872 tors. eta vs tors. theta energy: -203.479 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: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -2332.708898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.708898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.708898 (E_RNA) where: Base-Base interactions energy: -1587.616 where: short stacking energy: -704.927 Base-Backbone interact. energy: -4.035 local terms energy: -741.058249 where: bonds (distance) C4'-P energy: -129.504 bonds (distance) P-C4' energy: -151.033 flat angles C4'-P-C4' energy: -166.037 flat angles P-C4'-P energy: -114.337 tors. eta vs tors. theta energy: -180.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -2010.563956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2010.563956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2010.563956 (E_RNA) where: Base-Base interactions energy: -1322.965 where: short stacking energy: -582.006 Base-Backbone interact. energy: 0.270 local terms energy: -687.868739 where: bonds (distance) C4'-P energy: -168.366 bonds (distance) P-C4' energy: -146.285 flat angles C4'-P-C4' energy: -151.679 flat angles P-C4'-P energy: -98.873 tors. eta vs tors. theta energy: -122.666 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: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -1813.785159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.785159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.785159 (E_RNA) where: Base-Base interactions energy: -1190.195 where: short stacking energy: -522.756 Base-Backbone interact. energy: -1.008 local terms energy: -622.582451 where: bonds (distance) C4'-P energy: -139.989 bonds (distance) P-C4' energy: -131.822 flat angles C4'-P-C4' energy: -150.332 flat angles P-C4'-P energy: -99.847 tors. eta vs tors. theta energy: -100.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -1482.907397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.907397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.907397 (E_RNA) where: Base-Base interactions energy: -952.344 where: short stacking energy: -436.645 Base-Backbone interact. energy: -2.544 local terms energy: -528.018948 where: bonds (distance) C4'-P energy: -142.949 bonds (distance) P-C4' energy: -136.529 flat angles C4'-P-C4' energy: -119.209 flat angles P-C4'-P energy: -74.518 tors. eta vs tors. theta energy: -54.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -3276.972385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.972385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.972385 (E_RNA) where: Base-Base interactions energy: -2309.990 where: short stacking energy: -957.004 Base-Backbone interact. energy: -4.823 local terms energy: -962.159268 where: bonds (distance) C4'-P energy: -171.911 bonds (distance) P-C4' energy: -178.200 flat angles C4'-P-C4' energy: -196.033 flat angles P-C4'-P energy: -139.311 tors. eta vs tors. theta energy: -276.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -3181.079910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3181.079910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3181.079910 (E_RNA) where: Base-Base interactions energy: -2218.508 where: short stacking energy: -945.458 Base-Backbone interact. energy: -3.545 local terms energy: -959.027065 where: bonds (distance) C4'-P energy: -164.127 bonds (distance) P-C4' energy: -165.260 flat angles C4'-P-C4' energy: -212.832 flat angles P-C4'-P energy: -133.405 tors. eta vs tors. theta energy: -283.403 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: 3, replica: 8 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -2937.376197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.376197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.376197 (E_RNA) where: Base-Base interactions energy: -2025.129 where: short stacking energy: -833.863 Base-Backbone interact. energy: -5.522 local terms energy: -906.724548 where: bonds (distance) C4'-P energy: -170.991 bonds (distance) P-C4' energy: -165.026 flat angles C4'-P-C4' energy: -189.635 flat angles P-C4'-P energy: -137.999 tors. eta vs tors. theta energy: -243.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -2928.652955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.652955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.652955 (E_RNA) where: Base-Base interactions energy: -2066.242 where: short stacking energy: -881.860 Base-Backbone interact. energy: -5.004 local terms energy: -857.406105 where: bonds (distance) C4'-P energy: -155.637 bonds (distance) P-C4' energy: -149.718 flat angles C4'-P-C4' energy: -192.990 flat angles P-C4'-P energy: -109.808 tors. eta vs tors. theta energy: -249.253 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: 4 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -2680.849903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.849903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.849903 (E_RNA) where: Base-Base interactions energy: -1858.352 where: short stacking energy: -780.288 Base-Backbone interact. energy: -3.624 local terms energy: -818.873870 where: bonds (distance) C4'-P energy: -151.553 bonds (distance) P-C4' energy: -161.979 flat angles C4'-P-C4' energy: -176.600 flat angles P-C4'-P energy: -96.711 tors. eta vs tors. theta energy: -232.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -2641.521187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.521187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.521187 (E_RNA) where: Base-Base interactions energy: -1866.728 where: short stacking energy: -787.321 Base-Backbone interact. energy: -5.219 local terms energy: -769.574492 where: bonds (distance) C4'-P energy: -148.485 bonds (distance) P-C4' energy: -140.861 flat angles C4'-P-C4' energy: -178.397 flat angles P-C4'-P energy: -101.882 tors. eta vs tors. theta energy: -199.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -2380.043750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2380.043750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2380.043750 (E_RNA) where: Base-Base interactions energy: -1600.044 where: short stacking energy: -701.042 Base-Backbone interact. energy: 2.702 local terms energy: -782.701971 where: bonds (distance) C4'-P energy: -151.613 bonds (distance) P-C4' energy: -169.721 flat angles C4'-P-C4' energy: -177.199 flat angles P-C4'-P energy: -96.198 tors. eta vs tors. theta energy: -187.971 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: 10 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1907.768091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.768091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.768091 (E_RNA) where: Base-Base interactions energy: -1253.609 where: short stacking energy: -547.171 Base-Backbone interact. energy: -2.352 local terms energy: -651.807059 where: bonds (distance) C4'-P energy: -139.942 bonds (distance) P-C4' energy: -158.357 flat angles C4'-P-C4' energy: -143.315 flat angles P-C4'-P energy: -90.652 tors. eta vs tors. theta energy: -119.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -1835.948534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.948534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.948534 (E_RNA) where: Base-Base interactions energy: -1211.234 where: short stacking energy: -527.690 Base-Backbone interact. energy: 3.287 local terms energy: -628.000915 where: bonds (distance) C4'-P energy: -138.992 bonds (distance) P-C4' energy: -147.871 flat angles C4'-P-C4' energy: -153.323 flat angles P-C4'-P energy: -78.229 tors. eta vs tors. theta energy: -109.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -1526.858077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.858077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.858077 (E_RNA) where: Base-Base interactions energy: -921.853 where: short stacking energy: -422.284 Base-Backbone interact. energy: 1.189 local terms energy: -606.194176 where: bonds (distance) C4'-P energy: -142.359 bonds (distance) P-C4' energy: -166.154 flat angles C4'-P-C4' energy: -147.818 flat angles P-C4'-P energy: -93.769 tors. eta vs tors. theta energy: -56.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -3303.837763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3303.837763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3303.837763 (E_RNA) where: Base-Base interactions energy: -2350.793 where: short stacking energy: -982.508 Base-Backbone interact. energy: -6.221 local terms energy: -946.823731 where: bonds (distance) C4'-P energy: -165.355 bonds (distance) P-C4' energy: -174.193 flat angles C4'-P-C4' energy: -203.936 flat angles P-C4'-P energy: -123.585 tors. eta vs tors. theta energy: -279.755 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: 2, replica: 1 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -3176.475109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3176.475109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3176.475109 (E_RNA) where: Base-Base interactions energy: -2223.963 where: short stacking energy: -927.039 Base-Backbone interact. energy: 1.062 local terms energy: -953.573385 where: bonds (distance) C4'-P energy: -184.358 bonds (distance) P-C4' energy: -165.552 flat angles C4'-P-C4' energy: -195.556 flat angles P-C4'-P energy: -142.814 tors. eta vs tors. theta energy: -265.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -2958.222438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2958.222438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2958.222438 (E_RNA) where: Base-Base interactions energy: -2066.884 where: short stacking energy: -847.278 Base-Backbone interact. energy: -4.572 local terms energy: -886.766970 where: bonds (distance) C4'-P energy: -160.932 bonds (distance) P-C4' energy: -182.404 flat angles C4'-P-C4' energy: -188.137 flat angles P-C4'-P energy: -123.751 tors. eta vs tors. theta energy: -231.543 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: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -2894.107620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2894.107620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2894.107620 (E_RNA) where: Base-Base interactions energy: -2024.715 where: short stacking energy: -827.084 Base-Backbone interact. energy: 1.469 local terms energy: -870.861963 where: bonds (distance) C4'-P energy: -161.631 bonds (distance) P-C4' energy: -156.435 flat angles C4'-P-C4' energy: -200.002 flat angles P-C4'-P energy: -123.183 tors. eta vs tors. theta energy: -229.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -2662.289395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2662.289395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2662.289395 (E_RNA) where: Base-Base interactions energy: -1846.619 where: short stacking energy: -771.986 Base-Backbone interact. energy: -5.107 local terms energy: -810.563666 where: bonds (distance) C4'-P energy: -149.205 bonds (distance) P-C4' energy: -153.398 flat angles C4'-P-C4' energy: -179.427 flat angles P-C4'-P energy: -116.479 tors. eta vs tors. theta energy: -212.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -2655.374732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.374732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.374732 (E_RNA) where: Base-Base interactions energy: -1819.773 where: short stacking energy: -771.194 Base-Backbone interact. energy: -1.353 local terms energy: -834.249644 where: bonds (distance) C4'-P energy: -155.580 bonds (distance) P-C4' energy: -156.286 flat angles C4'-P-C4' energy: -184.431 flat angles P-C4'-P energy: -119.858 tors. eta vs tors. theta energy: -218.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -2334.032412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.032412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.032412 (E_RNA) where: Base-Base interactions energy: -1558.784 where: short stacking energy: -681.039 Base-Backbone interact. energy: 0.208 local terms energy: -775.455986 where: bonds (distance) C4'-P energy: -161.867 bonds (distance) P-C4' energy: -163.980 flat angles C4'-P-C4' energy: -167.676 flat angles P-C4'-P energy: -108.773 tors. eta vs tors. theta energy: -173.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -1954.189851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.189851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.189851 (E_RNA) where: Base-Base interactions energy: -1299.052 where: short stacking energy: -540.879 Base-Backbone interact. energy: 3.362 local terms energy: -658.499732 where: bonds (distance) C4'-P energy: -131.917 bonds (distance) P-C4' energy: -152.549 flat angles C4'-P-C4' energy: -161.389 flat angles P-C4'-P energy: -100.400 tors. eta vs tors. theta energy: -112.244 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: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -1800.500224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.500224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.500224 (E_RNA) where: Base-Base interactions energy: -1181.980 where: short stacking energy: -542.998 Base-Backbone interact. energy: 3.971 local terms energy: -622.490961 where: bonds (distance) C4'-P energy: -122.008 bonds (distance) P-C4' energy: -143.221 flat angles C4'-P-C4' energy: -162.280 flat angles P-C4'-P energy: -94.212 tors. eta vs tors. theta energy: -100.771 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: 5 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -1528.016039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.016039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.016039 (E_RNA) where: Base-Base interactions energy: -936.456 where: short stacking energy: -444.251 Base-Backbone interact. energy: 5.481 local terms energy: -597.041174 where: bonds (distance) C4'-P energy: -137.744 bonds (distance) P-C4' energy: -179.249 flat angles C4'-P-C4' energy: -138.950 flat angles P-C4'-P energy: -75.491 tors. eta vs tors. theta energy: -65.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -3270.177287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3270.177287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3270.177287 (E_RNA) where: Base-Base interactions energy: -2292.237 where: short stacking energy: -966.346 Base-Backbone interact. energy: -2.606 local terms energy: -975.334442 where: bonds (distance) C4'-P energy: -168.162 bonds (distance) P-C4' energy: -180.217 flat angles C4'-P-C4' energy: -208.206 flat angles P-C4'-P energy: -142.120 tors. eta vs tors. theta energy: -276.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -3166.812822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3166.812822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3166.812822 (E_RNA) where: Base-Base interactions energy: -2212.018 where: short stacking energy: -975.081 Base-Backbone interact. energy: -0.866 local terms energy: -953.928800 where: bonds (distance) C4'-P energy: -152.580 bonds (distance) P-C4' energy: -176.207 flat angles C4'-P-C4' energy: -202.441 flat angles P-C4'-P energy: -130.246 tors. eta vs tors. theta energy: -292.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -2941.721240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2941.721240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2941.721240 (E_RNA) where: Base-Base interactions energy: -2036.402 where: short stacking energy: -843.868 Base-Backbone interact. energy: -8.947 local terms energy: -896.372162 where: bonds (distance) C4'-P energy: -184.560 bonds (distance) P-C4' energy: -164.215 flat angles C4'-P-C4' energy: -189.399 flat angles P-C4'-P energy: -124.411 tors. eta vs tors. theta energy: -233.787 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: 4, replica: 7 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -2909.012537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.012537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.012537 (E_RNA) where: Base-Base interactions energy: -2014.491 where: short stacking energy: -867.935 Base-Backbone interact. energy: 1.962 local terms energy: -896.484277 where: bonds (distance) C4'-P energy: -170.331 bonds (distance) P-C4' energy: -155.000 flat angles C4'-P-C4' energy: -186.158 flat angles P-C4'-P energy: -129.711 tors. eta vs tors. theta energy: -255.284 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: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -2691.096566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2691.096566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2691.096566 (E_RNA) where: Base-Base interactions energy: -1857.876 where: short stacking energy: -781.850 Base-Backbone interact. energy: 0.792 local terms energy: -834.012250 where: bonds (distance) C4'-P energy: -165.559 bonds (distance) P-C4' energy: -150.731 flat angles C4'-P-C4' energy: -178.754 flat angles P-C4'-P energy: -116.971 tors. eta vs tors. theta energy: -221.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -2623.475600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.475600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.475600 (E_RNA) where: Base-Base interactions energy: -1814.825 where: short stacking energy: -760.978 Base-Backbone interact. energy: -3.029 local terms energy: -805.621312 where: bonds (distance) C4'-P energy: -155.772 bonds (distance) P-C4' energy: -165.813 flat angles C4'-P-C4' energy: -172.345 flat angles P-C4'-P energy: -104.195 tors. eta vs tors. theta energy: -207.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -2366.434384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2366.434384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2366.434384 (E_RNA) where: Base-Base interactions energy: -1642.289 where: short stacking energy: -707.534 Base-Backbone interact. energy: -0.164 local terms energy: -723.980986 where: bonds (distance) C4'-P energy: -151.438 bonds (distance) P-C4' energy: -136.967 flat angles C4'-P-C4' energy: -168.863 flat angles P-C4'-P energy: -94.843 tors. eta vs tors. theta energy: -171.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1977.557620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.557620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.557620 (E_RNA) where: Base-Base interactions energy: -1288.904 where: short stacking energy: -590.416 Base-Backbone interact. energy: -0.581 local terms energy: -688.072791 where: bonds (distance) C4'-P energy: -160.714 bonds (distance) P-C4' energy: -154.183 flat angles C4'-P-C4' energy: -143.316 flat angles P-C4'-P energy: -95.507 tors. eta vs tors. theta energy: -134.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -1873.656393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.656393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.656393 (E_RNA) where: Base-Base interactions energy: -1229.870 where: short stacking energy: -544.117 Base-Backbone interact. energy: 3.019 local terms energy: -646.804955 where: bonds (distance) C4'-P energy: -153.073 bonds (distance) P-C4' energy: -161.233 flat angles C4'-P-C4' energy: -133.859 flat angles P-C4'-P energy: -81.161 tors. eta vs tors. theta energy: -117.479 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: 5 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -1463.444440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.444440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.444440 (E_RNA) where: Base-Base interactions energy: -909.466 where: short stacking energy: -404.797 Base-Backbone interact. energy: 1.478 local terms energy: -555.456773 where: bonds (distance) C4'-P energy: -151.303 bonds (distance) P-C4' energy: -130.154 flat angles C4'-P-C4' energy: -133.164 flat angles P-C4'-P energy: -76.943 tors. eta vs tors. theta energy: -63.893 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: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -3288.392276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3288.392276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3288.392276 (E_RNA) where: Base-Base interactions energy: -2312.919 where: short stacking energy: -951.005 Base-Backbone interact. energy: -1.400 local terms energy: -974.072303 where: bonds (distance) C4'-P energy: -198.712 bonds (distance) P-C4' energy: -166.334 flat angles C4'-P-C4' energy: -203.145 flat angles P-C4'-P energy: -135.789 tors. eta vs tors. theta energy: -270.093 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: 342 Temperature: 0.950000 Total energy: -3177.662481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3177.662481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3177.662481 (E_RNA) where: Base-Base interactions energy: -2208.787 where: short stacking energy: -945.928 Base-Backbone interact. energy: -0.192 local terms energy: -968.683316 where: bonds (distance) C4'-P energy: -169.579 bonds (distance) P-C4' energy: -185.005 flat angles C4'-P-C4' energy: -204.042 flat angles P-C4'-P energy: -136.636 tors. eta vs tors. theta energy: -273.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -2989.599426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.599426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.599426 (E_RNA) where: Base-Base interactions energy: -2089.263 where: short stacking energy: -871.659 Base-Backbone interact. energy: -6.546 local terms energy: -893.790875 where: bonds (distance) C4'-P energy: -144.256 bonds (distance) P-C4' energy: -169.325 flat angles C4'-P-C4' energy: -202.273 flat angles P-C4'-P energy: -128.059 tors. eta vs tors. theta energy: -249.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -2896.533336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.533336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.533336 (E_RNA) where: Base-Base interactions energy: -2008.580 where: short stacking energy: -821.507 Base-Backbone interact. energy: -0.882 local terms energy: -887.070801 where: bonds (distance) C4'-P energy: -154.382 bonds (distance) P-C4' energy: -163.008 flat angles C4'-P-C4' energy: -196.279 flat angles P-C4'-P energy: -129.415 tors. eta vs tors. theta energy: -243.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -2723.888664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.888664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.888664 (E_RNA) where: Base-Base interactions energy: -1869.201 where: short stacking energy: -814.280 Base-Backbone interact. energy: -2.992 local terms energy: -851.695429 where: bonds (distance) C4'-P energy: -155.674 bonds (distance) P-C4' energy: -162.250 flat angles C4'-P-C4' energy: -187.514 flat angles P-C4'-P energy: -132.885 tors. eta vs tors. theta energy: -213.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -2599.419724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.419724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.419724 (E_RNA) where: Base-Base interactions energy: -1779.939 where: short stacking energy: -774.827 Base-Backbone interact. energy: 4.486 local terms energy: -823.966349 where: bonds (distance) C4'-P energy: -163.420 bonds (distance) P-C4' energy: -163.869 flat angles C4'-P-C4' energy: -182.616 flat angles P-C4'-P energy: -108.452 tors. eta vs tors. theta energy: -205.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -2512.584345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.584345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.584345 (E_RNA) where: Base-Base interactions energy: -1759.795 where: short stacking energy: -739.246 Base-Backbone interact. energy: -0.095 local terms energy: -752.694750 where: bonds (distance) C4'-P energy: -158.132 bonds (distance) P-C4' energy: -166.754 flat angles C4'-P-C4' energy: -142.907 flat angles P-C4'-P energy: -105.780 tors. eta vs tors. theta energy: -179.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1970.798927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1970.798927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1970.798927 (E_RNA) where: Base-Base interactions energy: -1320.002 where: short stacking energy: -569.231 Base-Backbone interact. energy: -1.854 local terms energy: -648.943664 where: bonds (distance) C4'-P energy: -138.277 bonds (distance) P-C4' energy: -136.153 flat angles C4'-P-C4' energy: -151.167 flat angles P-C4'-P energy: -100.595 tors. eta vs tors. theta energy: -122.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -1910.428777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1910.428777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1910.428777 (E_RNA) where: Base-Base interactions energy: -1247.007 where: short stacking energy: -545.780 Base-Backbone interact. energy: 1.573 local terms energy: -664.994796 where: bonds (distance) C4'-P energy: -146.528 bonds (distance) P-C4' energy: -169.176 flat angles C4'-P-C4' energy: -137.858 flat angles P-C4'-P energy: -95.657 tors. eta vs tors. theta energy: -115.775 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: 5 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -1455.166114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.166114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.166114 (E_RNA) where: Base-Base interactions energy: -923.166 where: short stacking energy: -448.832 Base-Backbone interact. energy: 0.854 local terms energy: -532.854586 where: bonds (distance) C4'-P energy: -148.661 bonds (distance) P-C4' energy: -130.210 flat angles C4'-P-C4' energy: -123.942 flat angles P-C4'-P energy: -79.996 tors. eta vs tors. theta energy: -50.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -3294.766906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3294.766906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3294.766906 (E_RNA) where: Base-Base interactions energy: -2289.314 where: short stacking energy: -972.156 Base-Backbone interact. energy: -2.712 local terms energy: -1002.740830 where: bonds (distance) C4'-P energy: -181.396 bonds (distance) P-C4' energy: -182.800 flat angles C4'-P-C4' energy: -212.097 flat angles P-C4'-P energy: -153.586 tors. eta vs tors. theta energy: -272.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -3156.440482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3156.440482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3156.440482 (E_RNA) where: Base-Base interactions energy: -2167.580 where: short stacking energy: -945.049 Base-Backbone interact. energy: -2.429 local terms energy: -986.431478 where: bonds (distance) C4'-P energy: -184.295 bonds (distance) P-C4' energy: -185.347 flat angles C4'-P-C4' energy: -206.119 flat angles P-C4'-P energy: -132.508 tors. eta vs tors. theta energy: -278.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -2992.623896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.623896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.623896 (E_RNA) where: Base-Base interactions energy: -2068.804 where: short stacking energy: -864.762 Base-Backbone interact. energy: -2.296 local terms energy: -921.523905 where: bonds (distance) C4'-P energy: -187.214 bonds (distance) P-C4' energy: -183.424 flat angles C4'-P-C4' energy: -190.801 flat angles P-C4'-P energy: -110.685 tors. eta vs tors. theta energy: -249.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -2843.504884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2843.504884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2843.504884 (E_RNA) where: Base-Base interactions energy: -1979.948 where: short stacking energy: -827.073 Base-Backbone interact. energy: -2.495 local terms energy: -861.061320 where: bonds (distance) C4'-P energy: -142.493 bonds (distance) P-C4' energy: -168.088 flat angles C4'-P-C4' energy: -203.014 flat angles P-C4'-P energy: -113.854 tors. eta vs tors. theta energy: -233.612 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: 6 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -2717.863818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.863818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.863818 (E_RNA) where: Base-Base interactions energy: -1875.063 where: short stacking energy: -814.531 Base-Backbone interact. energy: -3.338 local terms energy: -839.462995 where: bonds (distance) C4'-P energy: -146.622 bonds (distance) P-C4' energy: -177.074 flat angles C4'-P-C4' energy: -189.956 flat angles P-C4'-P energy: -113.432 tors. eta vs tors. theta energy: -212.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -2599.851265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.851265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.851265 (E_RNA) where: Base-Base interactions energy: -1769.054 where: short stacking energy: -752.983 Base-Backbone interact. energy: -3.713 local terms energy: -827.084471 where: bonds (distance) C4'-P energy: -153.505 bonds (distance) P-C4' energy: -166.219 flat angles C4'-P-C4' energy: -194.592 flat angles P-C4'-P energy: -110.852 tors. eta vs tors. theta energy: -201.916 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: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -2423.143478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.143478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.143478 (E_RNA) where: Base-Base interactions energy: -1606.122 where: short stacking energy: -692.301 Base-Backbone interact. energy: -3.349 local terms energy: -813.672816 where: bonds (distance) C4'-P energy: -155.434 bonds (distance) P-C4' energy: -155.067 flat angles C4'-P-C4' energy: -180.273 flat angles P-C4'-P energy: -136.520 tors. eta vs tors. theta energy: -186.379 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: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1918.285054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1918.285054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1918.285054 (E_RNA) where: Base-Base interactions energy: -1262.840 where: short stacking energy: -535.872 Base-Backbone interact. energy: 0.231 local terms energy: -655.676292 where: bonds (distance) C4'-P energy: -141.933 bonds (distance) P-C4' energy: -142.558 flat angles C4'-P-C4' energy: -139.538 flat angles P-C4'-P energy: -110.885 tors. eta vs tors. theta energy: -120.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -1868.388525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.388525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.388525 (E_RNA) where: Base-Base interactions energy: -1219.770 where: short stacking energy: -528.397 Base-Backbone interact. energy: 5.535 local terms energy: -654.152842 where: bonds (distance) C4'-P energy: -144.175 bonds (distance) P-C4' energy: -143.930 flat angles C4'-P-C4' energy: -155.537 flat angles P-C4'-P energy: -99.206 tors. eta vs tors. theta energy: -111.304 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: 5 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -1439.898362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.898362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.898362 (E_RNA) where: Base-Base interactions energy: -899.871 where: short stacking energy: -399.083 Base-Backbone interact. energy: 3.161 local terms energy: -543.187855 where: bonds (distance) C4'-P energy: -132.937 bonds (distance) P-C4' energy: -149.165 flat angles C4'-P-C4' energy: -137.931 flat angles P-C4'-P energy: -83.617 tors. eta vs tors. theta energy: -39.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -3310.954304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.954304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.954304 (E_RNA) where: Base-Base interactions energy: -2324.550 where: short stacking energy: -971.672 Base-Backbone interact. energy: -1.915 local terms energy: -984.488764 where: bonds (distance) C4'-P energy: -178.364 bonds (distance) P-C4' energy: -184.032 flat angles C4'-P-C4' energy: -199.552 flat angles P-C4'-P energy: -143.924 tors. eta vs tors. theta energy: -278.616 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: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -3178.318654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3178.318654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3178.318654 (E_RNA) where: Base-Base interactions energy: -2234.538 where: short stacking energy: -973.269 Base-Backbone interact. energy: -2.004 local terms energy: -941.777091 where: bonds (distance) C4'-P energy: -160.308 bonds (distance) P-C4' energy: -176.654 flat angles C4'-P-C4' energy: -190.190 flat angles P-C4'-P energy: -131.994 tors. eta vs tors. theta energy: -282.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -2991.848984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.848984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.848984 (E_RNA) where: Base-Base interactions energy: -2065.871 where: short stacking energy: -885.270 Base-Backbone interact. energy: -0.549 local terms energy: -925.429012 where: bonds (distance) C4'-P energy: -176.373 bonds (distance) P-C4' energy: -179.128 flat angles C4'-P-C4' energy: -191.376 flat angles P-C4'-P energy: -112.981 tors. eta vs tors. theta energy: -265.571 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: 4, replica: 7 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -2850.408116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.408116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.408116 (E_RNA) where: Base-Base interactions energy: -1978.790 where: short stacking energy: -844.284 Base-Backbone interact. energy: -1.838 local terms energy: -869.779866 where: bonds (distance) C4'-P energy: -149.800 bonds (distance) P-C4' energy: -175.697 flat angles C4'-P-C4' energy: -196.715 flat angles P-C4'-P energy: -107.473 tors. eta vs tors. theta energy: -240.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -2678.915661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.915661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.915661 (E_RNA) where: Base-Base interactions energy: -1840.865 where: short stacking energy: -827.681 Base-Backbone interact. energy: 3.863 local terms energy: -841.913163 where: bonds (distance) C4'-P energy: -159.457 bonds (distance) P-C4' energy: -159.591 flat angles C4'-P-C4' energy: -183.084 flat angles P-C4'-P energy: -105.406 tors. eta vs tors. theta energy: -234.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -2622.281563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2622.281563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2622.281563 (E_RNA) where: Base-Base interactions energy: -1804.580 where: short stacking energy: -764.164 Base-Backbone interact. energy: -7.405 local terms energy: -810.296066 where: bonds (distance) C4'-P energy: -146.217 bonds (distance) P-C4' energy: -153.473 flat angles C4'-P-C4' energy: -194.022 flat angles P-C4'-P energy: -100.000 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: 7, replica: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -2416.567916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.567916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.567916 (E_RNA) where: Base-Base interactions energy: -1636.218 where: short stacking energy: -717.019 Base-Backbone interact. energy: 1.775 local terms energy: -782.125867 where: bonds (distance) C4'-P energy: -139.166 bonds (distance) P-C4' energy: -178.599 flat angles C4'-P-C4' energy: -159.236 flat angles P-C4'-P energy: -108.640 tors. eta vs tors. theta energy: -196.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -2008.053564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.053564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.053564 (E_RNA) where: Base-Base interactions energy: -1316.303 where: short stacking energy: -580.622 Base-Backbone interact. energy: 0.966 local terms energy: -692.716958 where: bonds (distance) C4'-P energy: -152.009 bonds (distance) P-C4' energy: -148.380 flat angles C4'-P-C4' energy: -162.089 flat angles P-C4'-P energy: -105.327 tors. eta vs tors. theta energy: -124.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -1945.870158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.870158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.870158 (E_RNA) where: Base-Base interactions energy: -1303.642 where: short stacking energy: -552.726 Base-Backbone interact. energy: 1.026 local terms energy: -643.253404 where: bonds (distance) C4'-P energy: -148.908 bonds (distance) P-C4' energy: -146.347 flat angles C4'-P-C4' energy: -151.634 flat angles P-C4'-P energy: -94.541 tors. eta vs tors. theta energy: -101.823 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: 5 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -1390.614770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.614770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.614770 (E_RNA) where: Base-Base interactions energy: -857.871 where: short stacking energy: -403.650 Base-Backbone interact. energy: 2.267 local terms energy: -535.010213 where: bonds (distance) C4'-P energy: -129.756 bonds (distance) P-C4' energy: -139.578 flat angles C4'-P-C4' energy: -135.384 flat angles P-C4'-P energy: -80.988 tors. eta vs tors. theta energy: -49.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -3342.094762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3342.094762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3342.094762 (E_RNA) where: Base-Base interactions energy: -2347.835 where: short stacking energy: -989.536 Base-Backbone interact. energy: -3.258 local terms energy: -991.002156 where: bonds (distance) C4'-P energy: -185.063 bonds (distance) P-C4' energy: -175.315 flat angles C4'-P-C4' energy: -205.320 flat angles P-C4'-P energy: -143.719 tors. eta vs tors. theta energy: -281.585 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: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -3161.950916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3161.950916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3161.950916 (E_RNA) where: Base-Base interactions energy: -2214.917 where: short stacking energy: -939.576 Base-Backbone interact. energy: -0.644 local terms energy: -946.389555 where: bonds (distance) C4'-P energy: -169.049 bonds (distance) P-C4' energy: -192.715 flat angles C4'-P-C4' energy: -189.802 flat angles P-C4'-P energy: -126.169 tors. eta vs tors. theta energy: -268.655 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: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -3037.688565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.688565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.688565 (E_RNA) where: Base-Base interactions energy: -2099.848 where: short stacking energy: -879.990 Base-Backbone interact. energy: -2.464 local terms energy: -935.376120 where: bonds (distance) C4'-P energy: -165.682 bonds (distance) P-C4' energy: -176.871 flat angles C4'-P-C4' energy: -199.256 flat angles P-C4'-P energy: -123.696 tors. eta vs tors. theta energy: -269.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -2870.340138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.340138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.340138 (E_RNA) where: Base-Base interactions energy: -1977.909 where: short stacking energy: -833.799 Base-Backbone interact. energy: -1.908 local terms energy: -890.523070 where: bonds (distance) C4'-P energy: -174.818 bonds (distance) P-C4' energy: -162.793 flat angles C4'-P-C4' energy: -192.262 flat angles P-C4'-P energy: -124.574 tors. eta vs tors. theta energy: -236.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -2686.022559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2686.022559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2686.022559 (E_RNA) where: Base-Base interactions energy: -1868.896 where: short stacking energy: -825.862 Base-Backbone interact. energy: -1.421 local terms energy: -815.704984 where: bonds (distance) C4'-P energy: -133.377 bonds (distance) P-C4' energy: -156.163 flat angles C4'-P-C4' energy: -183.522 flat angles P-C4'-P energy: -126.588 tors. eta vs tors. theta energy: -216.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -2550.496280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2550.496280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2550.496280 (E_RNA) where: Base-Base interactions energy: -1751.273 where: short stacking energy: -756.448 Base-Backbone interact. energy: -0.228 local terms energy: -798.995878 where: bonds (distance) C4'-P energy: -131.617 bonds (distance) P-C4' energy: -152.752 flat angles C4'-P-C4' energy: -184.740 flat angles P-C4'-P energy: -117.790 tors. eta vs tors. theta energy: -212.097 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: 7, replica: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -2418.236700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.236700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.236700 (E_RNA) where: Base-Base interactions energy: -1664.194 where: short stacking energy: -713.329 Base-Backbone interact. energy: -0.768 local terms energy: -753.275268 where: bonds (distance) C4'-P energy: -131.196 bonds (distance) P-C4' energy: -157.728 flat angles C4'-P-C4' energy: -170.972 flat angles P-C4'-P energy: -112.655 tors. eta vs tors. theta energy: -180.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -2042.406424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2042.406424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2042.406424 (E_RNA) where: Base-Base interactions energy: -1354.771 where: short stacking energy: -615.636 Base-Backbone interact. energy: -4.104 local terms energy: -683.532112 where: bonds (distance) C4'-P energy: -136.582 bonds (distance) P-C4' energy: -151.338 flat angles C4'-P-C4' energy: -142.038 flat angles P-C4'-P energy: -104.739 tors. eta vs tors. theta energy: -148.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -1833.756761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.756761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.756761 (E_RNA) where: Base-Base interactions energy: -1203.228 where: short stacking energy: -523.804 Base-Backbone interact. energy: 6.516 local terms energy: -637.044605 where: bonds (distance) C4'-P energy: -137.790 bonds (distance) P-C4' energy: -167.210 flat angles C4'-P-C4' energy: -158.974 flat angles P-C4'-P energy: -84.886 tors. eta vs tors. theta energy: -88.184 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: 10, replica: 5 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -1477.708332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.708332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.708332 (E_RNA) where: Base-Base interactions energy: -932.795 where: short stacking energy: -453.088 Base-Backbone interact. energy: 7.669 local terms energy: -552.582217 where: bonds (distance) C4'-P energy: -129.282 bonds (distance) P-C4' energy: -133.165 flat angles C4'-P-C4' energy: -145.004 flat angles P-C4'-P energy: -69.787 tors. eta vs tors. theta energy: -75.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -3286.951295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3286.951295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3286.951295 (E_RNA) where: Base-Base interactions energy: -2313.575 where: short stacking energy: -966.994 Base-Backbone interact. energy: -2.425 local terms energy: -970.950467 where: bonds (distance) C4'-P energy: -161.559 bonds (distance) P-C4' energy: -189.572 flat angles C4'-P-C4' energy: -208.203 flat angles P-C4'-P energy: -130.531 tors. eta vs tors. theta energy: -281.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -3172.027880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.027880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.027880 (E_RNA) where: Base-Base interactions energy: -2209.716 where: short stacking energy: -948.890 Base-Backbone interact. energy: -0.798 local terms energy: -961.513557 where: bonds (distance) C4'-P energy: -159.711 bonds (distance) P-C4' energy: -186.436 flat angles C4'-P-C4' energy: -193.331 flat angles P-C4'-P energy: -144.493 tors. eta vs tors. theta energy: -277.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -3004.625962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3004.625962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3004.625962 (E_RNA) where: Base-Base interactions energy: -2121.260 where: short stacking energy: -882.178 Base-Backbone interact. energy: -5.383 local terms energy: -877.982888 where: bonds (distance) C4'-P energy: -148.284 bonds (distance) P-C4' energy: -171.165 flat angles C4'-P-C4' energy: -190.561 flat angles P-C4'-P energy: -117.481 tors. eta vs tors. theta energy: -250.491 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: 4, replica: 7 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -2857.367122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.367122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.367122 (E_RNA) where: Base-Base interactions energy: -1960.529 where: short stacking energy: -827.049 Base-Backbone interact. energy: -5.259 local terms energy: -891.579518 where: bonds (distance) C4'-P energy: -157.619 bonds (distance) P-C4' energy: -176.178 flat angles C4'-P-C4' energy: -184.343 flat angles P-C4'-P energy: -130.445 tors. eta vs tors. theta energy: -242.994 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: 5, replica: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -2674.192761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.192761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.192761 (E_RNA) where: Base-Base interactions energy: -1848.608 where: short stacking energy: -763.160 Base-Backbone interact. energy: -0.949 local terms energy: -824.635823 where: bonds (distance) C4'-P energy: -145.451 bonds (distance) P-C4' energy: -168.852 flat angles C4'-P-C4' energy: -168.139 flat angles P-C4'-P energy: -126.371 tors. eta vs tors. theta energy: -215.823 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: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -2516.293363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2516.293363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2516.293363 (E_RNA) where: Base-Base interactions energy: -1742.898 where: short stacking energy: -739.224 Base-Backbone interact. energy: -0.222 local terms energy: -773.173002 where: bonds (distance) C4'-P energy: -151.921 bonds (distance) P-C4' energy: -139.966 flat angles C4'-P-C4' energy: -161.082 flat angles P-C4'-P energy: -112.505 tors. eta vs tors. theta energy: -207.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -2478.339803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2478.339803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2478.339803 (E_RNA) where: Base-Base interactions energy: -1695.170 where: short stacking energy: -742.101 Base-Backbone interact. energy: 2.563 local terms energy: -785.732592 where: bonds (distance) C4'-P energy: -132.496 bonds (distance) P-C4' energy: -175.581 flat angles C4'-P-C4' energy: -185.005 flat angles P-C4'-P energy: -108.583 tors. eta vs tors. theta energy: -184.067 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: 10 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -1954.414168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.414168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.414168 (E_RNA) where: Base-Base interactions energy: -1291.171 where: short stacking energy: -562.486 Base-Backbone interact. energy: -1.478 local terms energy: -661.764344 where: bonds (distance) C4'-P energy: -143.191 bonds (distance) P-C4' energy: -168.442 flat angles C4'-P-C4' energy: -144.666 flat angles P-C4'-P energy: -83.214 tors. eta vs tors. theta energy: -122.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -1799.691095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.691095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.691095 (E_RNA) where: Base-Base interactions energy: -1158.052 where: short stacking energy: -507.559 Base-Backbone interact. energy: 5.514 local terms energy: -647.153886 where: bonds (distance) C4'-P energy: -131.325 bonds (distance) P-C4' energy: -166.909 flat angles C4'-P-C4' energy: -149.731 flat angles P-C4'-P energy: -91.203 tors. eta vs tors. theta energy: -107.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -1440.480748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.480748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.480748 (E_RNA) where: Base-Base interactions energy: -911.999 where: short stacking energy: -420.344 Base-Backbone interact. energy: -1.685 local terms energy: -526.797018 where: bonds (distance) C4'-P energy: -125.971 bonds (distance) P-C4' energy: -158.395 flat angles C4'-P-C4' energy: -113.772 flat angles P-C4'-P energy: -75.686 tors. eta vs tors. theta energy: -52.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -3301.221522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.221522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.221522 (E_RNA) where: Base-Base interactions energy: -2331.993 where: short stacking energy: -979.568 Base-Backbone interact. energy: -5.048 local terms energy: -964.181110 where: bonds (distance) C4'-P energy: -178.241 bonds (distance) P-C4' energy: -180.489 flat angles C4'-P-C4' energy: -196.640 flat angles P-C4'-P energy: -132.545 tors. eta vs tors. theta energy: -276.266 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: 1 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -3160.592490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.592490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.592490 (E_RNA) where: Base-Base interactions energy: -2189.413 where: short stacking energy: -949.264 Base-Backbone interact. energy: -2.696 local terms energy: -968.483449 where: bonds (distance) C4'-P energy: -181.720 bonds (distance) P-C4' energy: -161.319 flat angles C4'-P-C4' energy: -207.878 flat angles P-C4'-P energy: -149.259 tors. eta vs tors. theta energy: -268.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -3009.772894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3009.772894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3009.772894 (E_RNA) where: Base-Base interactions energy: -2111.228 where: short stacking energy: -917.158 Base-Backbone interact. energy: -2.117 local terms energy: -896.427553 where: bonds (distance) C4'-P energy: -168.175 bonds (distance) P-C4' energy: -175.187 flat angles C4'-P-C4' energy: -181.763 flat angles P-C4'-P energy: -118.559 tors. eta vs tors. theta energy: -252.744 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: 7 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -2915.400091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.400091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.400091 (E_RNA) where: Base-Base interactions energy: -2041.549 where: short stacking energy: -865.796 Base-Backbone interact. energy: -5.604 local terms energy: -868.247360 where: bonds (distance) C4'-P energy: -156.653 bonds (distance) P-C4' energy: -162.672 flat angles C4'-P-C4' energy: -176.637 flat angles P-C4'-P energy: -115.100 tors. eta vs tors. theta energy: -257.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -2663.397416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.397416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.397416 (E_RNA) where: Base-Base interactions energy: -1808.042 where: short stacking energy: -773.129 Base-Backbone interact. energy: -1.988 local terms energy: -853.367370 where: bonds (distance) C4'-P energy: -155.191 bonds (distance) P-C4' energy: -178.997 flat angles C4'-P-C4' energy: -175.031 flat angles P-C4'-P energy: -117.716 tors. eta vs tors. theta energy: -226.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -2468.641529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2468.641529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2468.641529 (E_RNA) where: Base-Base interactions energy: -1670.663 where: short stacking energy: -734.525 Base-Backbone interact. energy: -4.217 local terms energy: -793.762242 where: bonds (distance) C4'-P energy: -164.321 bonds (distance) P-C4' energy: -164.291 flat angles C4'-P-C4' energy: -150.077 flat angles P-C4'-P energy: -111.310 tors. eta vs tors. theta energy: -203.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -2399.840445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2399.840445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2399.840445 (E_RNA) where: Base-Base interactions energy: -1626.013 where: short stacking energy: -675.110 Base-Backbone interact. energy: 2.790 local terms energy: -776.617619 where: bonds (distance) C4'-P energy: -168.536 bonds (distance) P-C4' energy: -163.148 flat angles C4'-P-C4' energy: -140.463 flat angles P-C4'-P energy: -119.372 tors. eta vs tors. theta energy: -185.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1898.407177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.407177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.407177 (E_RNA) where: Base-Base interactions energy: -1251.480 where: short stacking energy: -526.392 Base-Backbone interact. energy: -0.981 local terms energy: -645.945416 where: bonds (distance) C4'-P energy: -137.281 bonds (distance) P-C4' energy: -153.758 flat angles C4'-P-C4' energy: -144.982 flat angles P-C4'-P energy: -88.340 tors. eta vs tors. theta energy: -121.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -1781.590180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.590180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.590180 (E_RNA) where: Base-Base interactions energy: -1171.130 where: short stacking energy: -537.091 Base-Backbone interact. energy: 0.199 local terms energy: -610.658953 where: bonds (distance) C4'-P energy: -120.178 bonds (distance) P-C4' energy: -142.885 flat angles C4'-P-C4' energy: -134.326 flat angles P-C4'-P energy: -99.476 tors. eta vs tors. theta energy: -113.793 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: 5 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -1456.741948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.741948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.741948 (E_RNA) where: Base-Base interactions energy: -907.767 where: short stacking energy: -409.923 Base-Backbone interact. energy: -1.079 local terms energy: -547.895698 where: bonds (distance) C4'-P energy: -140.672 bonds (distance) P-C4' energy: -135.260 flat angles C4'-P-C4' energy: -125.436 flat angles P-C4'-P energy: -91.222 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: 1, replica: 2 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -3291.161455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3291.161455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3291.161455 (E_RNA) where: Base-Base interactions energy: -2302.592 where: short stacking energy: -963.457 Base-Backbone interact. energy: -2.541 local terms energy: -986.028521 where: bonds (distance) C4'-P energy: -186.899 bonds (distance) P-C4' energy: -185.534 flat angles C4'-P-C4' energy: -203.536 flat angles P-C4'-P energy: -130.785 tors. eta vs tors. theta energy: -279.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -3164.259980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.259980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.259980 (E_RNA) where: Base-Base interactions energy: -2233.599 where: short stacking energy: -937.131 Base-Backbone interact. energy: -1.839 local terms energy: -928.821773 where: bonds (distance) C4'-P energy: -158.058 bonds (distance) P-C4' energy: -184.983 flat angles C4'-P-C4' energy: -198.665 flat angles P-C4'-P energy: -116.952 tors. eta vs tors. theta energy: -270.164 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: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -3048.093272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.093272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.093272 (E_RNA) where: Base-Base interactions energy: -2105.741 where: short stacking energy: -904.722 Base-Backbone interact. energy: -6.846 local terms energy: -935.506837 where: bonds (distance) C4'-P energy: -158.400 bonds (distance) P-C4' energy: -184.560 flat angles C4'-P-C4' energy: -192.106 flat angles P-C4'-P energy: -122.731 tors. eta vs tors. theta energy: -277.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -2932.376982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.376982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.376982 (E_RNA) where: Base-Base interactions energy: -2063.796 where: short stacking energy: -865.612 Base-Backbone interact. energy: 3.675 local terms energy: -872.256115 where: bonds (distance) C4'-P energy: -165.500 bonds (distance) P-C4' energy: -153.038 flat angles C4'-P-C4' energy: -195.228 flat angles P-C4'-P energy: -116.049 tors. eta vs tors. theta energy: -242.442 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: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -2693.226914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.226914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.226914 (E_RNA) where: Base-Base interactions energy: -1880.899 where: short stacking energy: -809.755 Base-Backbone interact. energy: -4.210 local terms energy: -808.117654 where: bonds (distance) C4'-P energy: -146.284 bonds (distance) P-C4' energy: -147.627 flat angles C4'-P-C4' energy: -184.848 flat angles P-C4'-P energy: -109.887 tors. eta vs tors. theta energy: -219.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -2508.300001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.300001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.300001 (E_RNA) where: Base-Base interactions energy: -1716.955 where: short stacking energy: -734.230 Base-Backbone interact. energy: -0.332 local terms energy: -791.012688 where: bonds (distance) C4'-P energy: -141.752 bonds (distance) P-C4' energy: -149.212 flat angles C4'-P-C4' energy: -183.128 flat angles P-C4'-P energy: -110.865 tors. eta vs tors. theta energy: -206.056 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: 4 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -2500.036389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2500.036389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2500.036389 (E_RNA) where: Base-Base interactions energy: -1705.731 where: short stacking energy: -727.563 Base-Backbone interact. energy: -2.981 local terms energy: -791.324598 where: bonds (distance) C4'-P energy: -153.560 bonds (distance) P-C4' energy: -159.821 flat angles C4'-P-C4' energy: -173.502 flat angles P-C4'-P energy: -102.402 tors. eta vs tors. theta energy: -202.038 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: 10 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1815.073135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.073135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.073135 (E_RNA) where: Base-Base interactions energy: -1163.530 where: short stacking energy: -530.213 Base-Backbone interact. energy: -1.616 local terms energy: -649.926925 where: bonds (distance) C4'-P energy: -154.956 bonds (distance) P-C4' energy: -143.301 flat angles C4'-P-C4' energy: -166.821 flat angles P-C4'-P energy: -70.076 tors. eta vs tors. theta energy: -114.773 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: 9 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -1776.716931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.716931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.716931 (E_RNA) where: Base-Base interactions energy: -1120.980 where: short stacking energy: -508.327 Base-Backbone interact. energy: 0.770 local terms energy: -656.507649 where: bonds (distance) C4'-P energy: -149.252 bonds (distance) P-C4' energy: -140.872 flat angles C4'-P-C4' energy: -157.400 flat angles P-C4'-P energy: -114.786 tors. eta vs tors. theta energy: -94.198 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: 5 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -1449.434513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.434513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.434513 (E_RNA) where: Base-Base interactions energy: -877.538 where: short stacking energy: -404.842 Base-Backbone interact. energy: 6.539 local terms energy: -578.435633 where: bonds (distance) C4'-P energy: -134.166 bonds (distance) P-C4' energy: -155.220 flat angles C4'-P-C4' energy: -144.734 flat angles P-C4'-P energy: -72.370 tors. eta vs tors. theta energy: -71.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -3317.211606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3317.211606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3317.211606 (E_RNA) where: Base-Base interactions energy: -2334.376 where: short stacking energy: -948.092 Base-Backbone interact. energy: -3.998 local terms energy: -978.837631 where: bonds (distance) C4'-P energy: -181.557 bonds (distance) P-C4' energy: -175.193 flat angles C4'-P-C4' energy: -210.268 flat angles P-C4'-P energy: -143.133 tors. eta vs tors. theta energy: -268.687 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: 8 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -3123.252408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3123.252408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3123.252408 (E_RNA) where: Base-Base interactions energy: -2143.351 where: short stacking energy: -923.638 Base-Backbone interact. energy: -4.124 local terms energy: -975.777611 where: bonds (distance) C4'-P energy: -183.196 bonds (distance) P-C4' energy: -194.176 flat angles C4'-P-C4' energy: -198.659 flat angles P-C4'-P energy: -135.132 tors. eta vs tors. theta energy: -264.614 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: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -3120.000478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3120.000478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3120.000478 (E_RNA) where: Base-Base interactions energy: -2167.115 where: short stacking energy: -927.457 Base-Backbone interact. energy: -5.378 local terms energy: -947.507645 where: bonds (distance) C4'-P energy: -178.112 bonds (distance) P-C4' energy: -162.641 flat angles C4'-P-C4' energy: -200.835 flat angles P-C4'-P energy: -135.612 tors. eta vs tors. theta energy: -270.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -2991.649764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.649764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.649764 (E_RNA) where: Base-Base interactions energy: -2072.142 where: short stacking energy: -881.310 Base-Backbone interact. energy: -8.725 local terms energy: -910.782931 where: bonds (distance) C4'-P energy: -154.443 bonds (distance) P-C4' energy: -184.202 flat angles C4'-P-C4' energy: -200.476 flat angles P-C4'-P energy: -114.579 tors. eta vs tors. theta energy: -257.082 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: 5, replica: 6 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -2754.241407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.241407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.241407 (E_RNA) where: Base-Base interactions energy: -1948.981 where: short stacking energy: -812.541 Base-Backbone interact. energy: -4.000 local terms energy: -801.260709 where: bonds (distance) C4'-P energy: -146.086 bonds (distance) P-C4' energy: -143.413 flat angles C4'-P-C4' energy: -174.200 flat angles P-C4'-P energy: -112.628 tors. eta vs tors. theta energy: -224.935 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: 3 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -2555.221225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.221225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.221225 (E_RNA) where: Base-Base interactions energy: -1756.058 where: short stacking energy: -742.107 Base-Backbone interact. energy: 0.012 local terms energy: -799.175460 where: bonds (distance) C4'-P energy: -159.598 bonds (distance) P-C4' energy: -160.590 flat angles C4'-P-C4' energy: -148.464 flat angles P-C4'-P energy: -122.324 tors. eta vs tors. theta energy: -208.199 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: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -2460.477737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2460.477737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2460.477737 (E_RNA) where: Base-Base interactions energy: -1716.235 where: short stacking energy: -747.764 Base-Backbone interact. energy: -3.215 local terms energy: -741.027620 where: bonds (distance) C4'-P energy: -135.062 bonds (distance) P-C4' energy: -154.563 flat angles C4'-P-C4' energy: -154.785 flat angles P-C4'-P energy: -96.613 tors. eta vs tors. theta energy: -200.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1912.738552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.738552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.738552 (E_RNA) where: Base-Base interactions energy: -1215.250 where: short stacking energy: -533.568 Base-Backbone interact. energy: -0.957 local terms energy: -696.531230 where: bonds (distance) C4'-P energy: -173.516 bonds (distance) P-C4' energy: -162.340 flat angles C4'-P-C4' energy: -152.159 flat angles P-C4'-P energy: -99.792 tors. eta vs tors. theta energy: -108.724 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: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -1709.044921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.044921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.044921 (E_RNA) where: Base-Base interactions energy: -1104.559 where: short stacking energy: -493.385 Base-Backbone interact. energy: -1.683 local terms energy: -602.802106 where: bonds (distance) C4'-P energy: -133.047 bonds (distance) P-C4' energy: -156.073 flat angles C4'-P-C4' energy: -152.967 flat angles P-C4'-P energy: -66.117 tors. eta vs tors. theta energy: -94.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -1531.571700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.571700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.571700 (E_RNA) where: Base-Base interactions energy: -989.146 where: short stacking energy: -434.436 Base-Backbone interact. energy: 0.348 local terms energy: -542.773044 where: bonds (distance) C4'-P energy: -144.914 bonds (distance) P-C4' energy: -121.193 flat angles C4'-P-C4' energy: -147.623 flat angles P-C4'-P energy: -64.205 tors. eta vs tors. theta energy: -64.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -3347.463949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.463949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.463949 (E_RNA) where: Base-Base interactions energy: -2369.960 where: short stacking energy: -982.145 Base-Backbone interact. energy: -0.318 local terms energy: -977.185968 where: bonds (distance) C4'-P energy: -178.230 bonds (distance) P-C4' energy: -166.601 flat angles C4'-P-C4' energy: -197.825 flat angles P-C4'-P energy: -149.082 tors. eta vs tors. theta energy: -285.448 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: 8 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -3057.854031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.854031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.854031 (E_RNA) where: Base-Base interactions energy: -2100.001 where: short stacking energy: -889.640 Base-Backbone interact. energy: -5.040 local terms energy: -952.813544 where: bonds (distance) C4'-P energy: -177.269 bonds (distance) P-C4' energy: -186.909 flat angles C4'-P-C4' energy: -203.977 flat angles P-C4'-P energy: -138.682 tors. eta vs tors. theta energy: -245.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -3097.660298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.660298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.660298 (E_RNA) where: Base-Base interactions energy: -2124.974 where: short stacking energy: -927.752 Base-Backbone interact. energy: -5.348 local terms energy: -967.339099 where: bonds (distance) C4'-P energy: -186.327 bonds (distance) P-C4' energy: -184.161 flat angles C4'-P-C4' energy: -196.553 flat angles P-C4'-P energy: -131.419 tors. eta vs tors. theta energy: -268.879 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: 7 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -2890.753783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.753783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.753783 (E_RNA) where: Base-Base interactions energy: -1994.110 where: short stacking energy: -881.920 Base-Backbone interact. energy: -1.300 local terms energy: -895.343793 where: bonds (distance) C4'-P energy: -149.911 bonds (distance) P-C4' energy: -180.286 flat angles C4'-P-C4' energy: -184.131 flat angles P-C4'-P energy: -120.552 tors. eta vs tors. theta energy: -260.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -2751.577022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.577022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.577022 (E_RNA) where: Base-Base interactions energy: -1860.945 where: short stacking energy: -817.122 Base-Backbone interact. energy: -3.293 local terms energy: -887.339705 where: bonds (distance) C4'-P energy: -186.634 bonds (distance) P-C4' energy: -177.109 flat angles C4'-P-C4' energy: -183.815 flat angles P-C4'-P energy: -114.808 tors. eta vs tors. theta energy: -224.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -2609.509753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.509753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.509753 (E_RNA) where: Base-Base interactions energy: -1794.110 where: short stacking energy: -764.172 Base-Backbone interact. energy: -0.408 local terms energy: -814.992605 where: bonds (distance) C4'-P energy: -158.605 bonds (distance) P-C4' energy: -152.174 flat angles C4'-P-C4' energy: -175.162 flat angles P-C4'-P energy: -117.846 tors. eta vs tors. theta energy: -211.205 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: 7, replica: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -2485.434407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.434407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.434407 (E_RNA) where: Base-Base interactions energy: -1705.188 where: short stacking energy: -709.100 Base-Backbone interact. energy: -2.502 local terms energy: -777.743827 where: bonds (distance) C4'-P energy: -152.722 bonds (distance) P-C4' energy: -146.989 flat angles C4'-P-C4' energy: -187.653 flat angles P-C4'-P energy: -92.087 tors. eta vs tors. theta energy: -198.293 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: 350 Temperature: 1.250000 Total energy: -1978.190685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.190685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.190685 (E_RNA) where: Base-Base interactions energy: -1306.805 where: short stacking energy: -593.712 Base-Backbone interact. energy: -3.186 local terms energy: -668.199600 where: bonds (distance) C4'-P energy: -135.417 bonds (distance) P-C4' energy: -151.076 flat angles C4'-P-C4' energy: -165.657 flat angles P-C4'-P energy: -78.253 tors. eta vs tors. theta energy: -137.797 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: 9 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -1761.346463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.346463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.346463 (E_RNA) where: Base-Base interactions energy: -1132.348 where: short stacking energy: -495.358 Base-Backbone interact. energy: 2.243 local terms energy: -631.241283 where: bonds (distance) C4'-P energy: -144.679 bonds (distance) P-C4' energy: -162.881 flat angles C4'-P-C4' energy: -148.972 flat angles P-C4'-P energy: -83.060 tors. eta vs tors. theta energy: -91.650 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: 5 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -1555.394013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.394013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.394013 (E_RNA) where: Base-Base interactions energy: -1012.179 where: short stacking energy: -440.301 Base-Backbone interact. energy: 3.111 local terms energy: -546.326392 where: bonds (distance) C4'-P energy: -121.747 bonds (distance) P-C4' energy: -158.984 flat angles C4'-P-C4' energy: -134.350 flat angles P-C4'-P energy: -66.049 tors. eta vs tors. theta energy: -65.196 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: 2 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -3322.440998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3322.440998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3322.440998 (E_RNA) where: Base-Base interactions energy: -2331.499 where: short stacking energy: -970.659 Base-Backbone interact. energy: -3.349 local terms energy: -987.593184 where: bonds (distance) C4'-P energy: -185.515 bonds (distance) P-C4' energy: -177.423 flat angles C4'-P-C4' energy: -213.211 flat angles P-C4'-P energy: -133.206 tors. eta vs tors. theta energy: -278.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -3149.070991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.070991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.070991 (E_RNA) where: Base-Base interactions energy: -2190.117 where: short stacking energy: -949.393 Base-Backbone interact. energy: 1.284 local terms energy: -960.237371 where: bonds (distance) C4'-P energy: -165.208 bonds (distance) P-C4' energy: -179.791 flat angles C4'-P-C4' energy: -188.611 flat angles P-C4'-P energy: -144.849 tors. eta vs tors. theta energy: -281.778 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: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -2986.263416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2986.263416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2986.263416 (E_RNA) where: Base-Base interactions energy: -2049.380 where: short stacking energy: -890.640 Base-Backbone interact. energy: -3.284 local terms energy: -933.599769 where: bonds (distance) C4'-P energy: -160.331 bonds (distance) P-C4' energy: -190.949 flat angles C4'-P-C4' energy: -198.406 flat angles P-C4'-P energy: -132.768 tors. eta vs tors. theta energy: -251.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -2927.728571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.728571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.728571 (E_RNA) where: Base-Base interactions energy: -2041.791 where: short stacking energy: -844.699 Base-Backbone interact. energy: 0.276 local terms energy: -886.213443 where: bonds (distance) C4'-P energy: -153.793 bonds (distance) P-C4' energy: -168.299 flat angles C4'-P-C4' energy: -186.313 flat angles P-C4'-P energy: -131.519 tors. eta vs tors. theta energy: -246.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -2765.438374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.438374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.438374 (E_RNA) where: Base-Base interactions energy: -1906.352 where: short stacking energy: -810.358 Base-Backbone interact. energy: 3.151 local terms energy: -862.237407 where: bonds (distance) C4'-P energy: -152.644 bonds (distance) P-C4' energy: -162.442 flat angles C4'-P-C4' energy: -189.858 flat angles P-C4'-P energy: -124.611 tors. eta vs tors. theta energy: -232.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -2559.151279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.151279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.151279 (E_RNA) where: Base-Base interactions energy: -1744.344 where: short stacking energy: -740.659 Base-Backbone interact. energy: -2.245 local terms energy: -812.562515 where: bonds (distance) C4'-P energy: -144.573 bonds (distance) P-C4' energy: -151.712 flat angles C4'-P-C4' energy: -198.037 flat angles P-C4'-P energy: -102.643 tors. eta vs tors. theta energy: -215.598 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: 351 Temperature: 1.200000 Total energy: -2418.579798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2418.579798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2418.579798 (E_RNA) where: Base-Base interactions energy: -1633.935 where: short stacking energy: -708.549 Base-Backbone interact. energy: -1.183 local terms energy: -783.461242 where: bonds (distance) C4'-P energy: -148.787 bonds (distance) P-C4' energy: -162.999 flat angles C4'-P-C4' energy: -165.892 flat angles P-C4'-P energy: -116.836 tors. eta vs tors. theta energy: -188.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1921.124043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1921.124043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1921.124043 (E_RNA) where: Base-Base interactions energy: -1255.756 where: short stacking energy: -535.844 Base-Backbone interact. energy: 1.999 local terms energy: -667.367030 where: bonds (distance) C4'-P energy: -139.105 bonds (distance) P-C4' energy: -136.958 flat angles C4'-P-C4' energy: -175.596 flat angles P-C4'-P energy: -89.752 tors. eta vs tors. theta energy: -125.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -1917.597500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1917.597500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1917.597500 (E_RNA) where: Base-Base interactions energy: -1284.636 where: short stacking energy: -537.372 Base-Backbone interact. energy: -1.673 local terms energy: -631.288004 where: bonds (distance) C4'-P energy: -144.886 bonds (distance) P-C4' energy: -154.237 flat angles C4'-P-C4' energy: -134.188 flat angles P-C4'-P energy: -98.635 tors. eta vs tors. theta energy: -99.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -1553.843888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.843888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.843888 (E_RNA) where: Base-Base interactions energy: -997.852 where: short stacking energy: -433.868 Base-Backbone interact. energy: -0.623 local terms energy: -555.369451 where: bonds (distance) C4'-P energy: -137.014 bonds (distance) P-C4' energy: -135.284 flat angles C4'-P-C4' energy: -141.646 flat angles P-C4'-P energy: -94.090 tors. eta vs tors. theta energy: -47.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -3315.817515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3315.817515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3315.817515 (E_RNA) where: Base-Base interactions energy: -2311.195 where: short stacking energy: -953.638 Base-Backbone interact. energy: -3.192 local terms energy: -1001.430328 where: bonds (distance) C4'-P energy: -178.745 bonds (distance) P-C4' energy: -184.801 flat angles C4'-P-C4' energy: -208.495 flat angles P-C4'-P energy: -149.170 tors. eta vs tors. theta energy: -280.220 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: 1 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -3158.207695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.207695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.207695 (E_RNA) where: Base-Base interactions energy: -2172.616 where: short stacking energy: -927.663 Base-Backbone interact. energy: -2.299 local terms energy: -983.293101 where: bonds (distance) C4'-P energy: -181.912 bonds (distance) P-C4' energy: -181.690 flat angles C4'-P-C4' energy: -202.592 flat angles P-C4'-P energy: -143.984 tors. eta vs tors. theta energy: -273.115 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: 7 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -2989.195965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2989.195965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2989.195965 (E_RNA) where: Base-Base interactions energy: -2060.202 where: short stacking energy: -872.488 Base-Backbone interact. energy: -1.606 local terms energy: -927.387683 where: bonds (distance) C4'-P energy: -181.833 bonds (distance) P-C4' energy: -180.567 flat angles C4'-P-C4' energy: -195.885 flat angles P-C4'-P energy: -125.745 tors. eta vs tors. theta energy: -243.358 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: 8 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -2949.936072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.936072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.936072 (E_RNA) where: Base-Base interactions energy: -2048.915 where: short stacking energy: -853.915 Base-Backbone interact. energy: -2.786 local terms energy: -898.235421 where: bonds (distance) C4'-P energy: -176.616 bonds (distance) P-C4' energy: -155.037 flat angles C4'-P-C4' energy: -204.840 flat angles P-C4'-P energy: -121.624 tors. eta vs tors. theta energy: -240.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -2773.387403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.387403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.387403 (E_RNA) where: Base-Base interactions energy: -1934.693 where: short stacking energy: -816.593 Base-Backbone interact. energy: 3.047 local terms energy: -841.741587 where: bonds (distance) C4'-P energy: -158.225 bonds (distance) P-C4' energy: -157.316 flat angles C4'-P-C4' energy: -188.307 flat angles P-C4'-P energy: -128.286 tors. eta vs tors. theta energy: -209.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -2540.497227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.497227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.497227 (E_RNA) where: Base-Base interactions energy: -1723.034 where: short stacking energy: -739.744 Base-Backbone interact. energy: -4.699 local terms energy: -812.764338 where: bonds (distance) C4'-P energy: -148.344 bonds (distance) P-C4' energy: -165.956 flat angles C4'-P-C4' energy: -179.658 flat angles P-C4'-P energy: -111.162 tors. eta vs tors. theta energy: -207.644 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: 3 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -2422.389403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2422.389403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2422.389403 (E_RNA) where: Base-Base interactions energy: -1664.121 where: short stacking energy: -738.319 Base-Backbone interact. energy: -1.071 local terms energy: -757.197412 where: bonds (distance) C4'-P energy: -141.227 bonds (distance) P-C4' energy: -150.243 flat angles C4'-P-C4' energy: -179.312 flat angles P-C4'-P energy: -104.221 tors. eta vs tors. theta energy: -182.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1873.345259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.345259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.345259 (E_RNA) where: Base-Base interactions energy: -1211.644 where: short stacking energy: -507.801 Base-Backbone interact. energy: 1.773 local terms energy: -663.474309 where: bonds (distance) C4'-P energy: -153.298 bonds (distance) P-C4' energy: -142.503 flat angles C4'-P-C4' energy: -139.567 flat angles P-C4'-P energy: -114.489 tors. eta vs tors. theta energy: -113.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -1825.393846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.393846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.393846 (E_RNA) where: Base-Base interactions energy: -1212.808 where: short stacking energy: -517.229 Base-Backbone interact. energy: -4.467 local terms energy: -608.119140 where: bonds (distance) C4'-P energy: -127.574 bonds (distance) P-C4' energy: -148.179 flat angles C4'-P-C4' energy: -141.722 flat angles P-C4'-P energy: -79.176 tors. eta vs tors. theta energy: -111.468 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: 5 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -1500.812848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.812848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.812848 (E_RNA) where: Base-Base interactions energy: -943.250 where: short stacking energy: -435.547 Base-Backbone interact. energy: 1.936 local terms energy: -559.499049 where: bonds (distance) C4'-P energy: -125.211 bonds (distance) P-C4' energy: -137.532 flat angles C4'-P-C4' energy: -151.745 flat angles P-C4'-P energy: -81.490 tors. eta vs tors. theta energy: -63.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -3264.608514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.608514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.608514 (E_RNA) where: Base-Base interactions energy: -2309.095 where: short stacking energy: -963.709 Base-Backbone interact. energy: -3.430 local terms energy: -952.083362 where: bonds (distance) C4'-P energy: -172.299 bonds (distance) P-C4' energy: -170.441 flat angles C4'-P-C4' energy: -208.784 flat angles P-C4'-P energy: -128.844 tors. eta vs tors. theta energy: -271.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -3186.304633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.304633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.304633 (E_RNA) where: Base-Base interactions energy: -2184.940 where: short stacking energy: -953.930 Base-Backbone interact. energy: -5.473 local terms energy: -995.892121 where: bonds (distance) C4'-P energy: -188.189 bonds (distance) P-C4' energy: -187.840 flat angles C4'-P-C4' energy: -198.468 flat angles P-C4'-P energy: -141.908 tors. eta vs tors. theta energy: -279.486 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: 3, replica: 7 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -3020.472595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.472595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.472595 (E_RNA) where: Base-Base interactions energy: -2088.319 where: short stacking energy: -872.730 Base-Backbone interact. energy: 1.208 local terms energy: -933.361456 where: bonds (distance) C4'-P energy: -172.229 bonds (distance) P-C4' energy: -174.023 flat angles C4'-P-C4' energy: -205.921 flat angles P-C4'-P energy: -133.916 tors. eta vs tors. theta energy: -247.271 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: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -2892.789065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.789065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.789065 (E_RNA) where: Base-Base interactions energy: -2034.352 where: short stacking energy: -837.205 Base-Backbone interact. energy: -4.955 local terms energy: -853.482745 where: bonds (distance) C4'-P energy: -167.639 bonds (distance) P-C4' energy: -159.351 flat angles C4'-P-C4' energy: -178.054 flat angles P-C4'-P energy: -104.286 tors. eta vs tors. theta energy: -244.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -2729.371503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.371503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.371503 (E_RNA) where: Base-Base interactions energy: -1897.045 where: short stacking energy: -832.153 Base-Backbone interact. energy: 0.996 local terms energy: -833.322222 where: bonds (distance) C4'-P energy: -146.256 bonds (distance) P-C4' energy: -170.335 flat angles C4'-P-C4' energy: -183.203 flat angles P-C4'-P energy: -105.511 tors. eta vs tors. theta energy: -228.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -2510.959800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.959800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.959800 (E_RNA) where: Base-Base interactions energy: -1672.177 where: short stacking energy: -743.115 Base-Backbone interact. energy: -2.861 local terms energy: -835.921970 where: bonds (distance) C4'-P energy: -157.314 bonds (distance) P-C4' energy: -182.828 flat angles C4'-P-C4' energy: -167.651 flat angles P-C4'-P energy: -133.021 tors. eta vs tors. theta energy: -195.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -2470.246996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.246996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.246996 (E_RNA) where: Base-Base interactions energy: -1687.126 where: short stacking energy: -726.090 Base-Backbone interact. energy: 1.248 local terms energy: -784.369361 where: bonds (distance) C4'-P energy: -146.076 bonds (distance) P-C4' energy: -158.281 flat angles C4'-P-C4' energy: -168.214 flat angles P-C4'-P energy: -106.688 tors. eta vs tors. theta energy: -205.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1883.250095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.250095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.250095 (E_RNA) where: Base-Base interactions energy: -1230.055 where: short stacking energy: -543.298 Base-Backbone interact. energy: 4.909 local terms energy: -658.104002 where: bonds (distance) C4'-P energy: -146.000 bonds (distance) P-C4' energy: -142.234 flat angles C4'-P-C4' energy: -164.748 flat angles P-C4'-P energy: -105.336 tors. eta vs tors. theta energy: -99.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -1722.729610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.729610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.729610 (E_RNA) where: Base-Base interactions energy: -1115.229 where: short stacking energy: -496.953 Base-Backbone interact. energy: 1.293 local terms energy: -608.794210 where: bonds (distance) C4'-P energy: -128.964 bonds (distance) P-C4' energy: -147.288 flat angles C4'-P-C4' energy: -140.945 flat angles P-C4'-P energy: -95.733 tors. eta vs tors. theta energy: -95.864 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: 5 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -1568.785831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.785831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.785831 (E_RNA) where: Base-Base interactions energy: -1005.694 where: short stacking energy: -443.592 Base-Backbone interact. energy: 4.998 local terms energy: -568.089840 where: bonds (distance) C4'-P energy: -132.410 bonds (distance) P-C4' energy: -121.088 flat angles C4'-P-C4' energy: -150.315 flat angles P-C4'-P energy: -94.598 tors. eta vs tors. theta energy: -69.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -3300.064323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3300.064323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3300.064323 (E_RNA) where: Base-Base interactions energy: -2337.284 where: short stacking energy: -963.449 Base-Backbone interact. energy: -4.207 local terms energy: -958.572940 where: bonds (distance) C4'-P energy: -190.385 bonds (distance) P-C4' energy: -170.021 flat angles C4'-P-C4' energy: -201.927 flat angles P-C4'-P energy: -123.975 tors. eta vs tors. theta energy: -272.265 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: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -3186.325111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3186.325111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3186.325111 (E_RNA) where: Base-Base interactions energy: -2222.324 where: short stacking energy: -931.505 Base-Backbone interact. energy: -3.899 local terms energy: -960.102565 where: bonds (distance) C4'-P energy: -173.114 bonds (distance) P-C4' energy: -180.913 flat angles C4'-P-C4' energy: -200.687 flat angles P-C4'-P energy: -138.601 tors. eta vs tors. theta energy: -266.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -3002.904687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3002.904687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3002.904687 (E_RNA) where: Base-Base interactions energy: -2086.988 where: short stacking energy: -876.146 Base-Backbone interact. energy: -1.599 local terms energy: -914.317566 where: bonds (distance) C4'-P energy: -172.774 bonds (distance) P-C4' energy: -169.611 flat angles C4'-P-C4' energy: -196.383 flat angles P-C4'-P energy: -126.265 tors. eta vs tors. theta energy: -249.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -2925.687040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.687040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.687040 (E_RNA) where: Base-Base interactions energy: -2042.771 where: short stacking energy: -860.828 Base-Backbone interact. energy: 0.504 local terms energy: -883.419837 where: bonds (distance) C4'-P energy: -160.219 bonds (distance) P-C4' energy: -157.045 flat angles C4'-P-C4' energy: -187.555 flat angles P-C4'-P energy: -140.857 tors. eta vs tors. theta energy: -237.743 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: 6 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -2740.139482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.139482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.139482 (E_RNA) where: Base-Base interactions energy: -1903.388 where: short stacking energy: -793.520 Base-Backbone interact. energy: -2.322 local terms energy: -834.429725 where: bonds (distance) C4'-P energy: -147.049 bonds (distance) P-C4' energy: -154.510 flat angles C4'-P-C4' energy: -185.640 flat angles P-C4'-P energy: -127.802 tors. eta vs tors. theta energy: -219.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -2552.273559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.273559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.273559 (E_RNA) where: Base-Base interactions energy: -1727.094 where: short stacking energy: -732.484 Base-Backbone interact. energy: -4.139 local terms energy: -821.040521 where: bonds (distance) C4'-P energy: -157.286 bonds (distance) P-C4' energy: -167.799 flat angles C4'-P-C4' energy: -183.939 flat angles P-C4'-P energy: -109.063 tors. eta vs tors. theta energy: -202.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -2493.106965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.106965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.106965 (E_RNA) where: Base-Base interactions energy: -1717.264 where: short stacking energy: -749.884 Base-Backbone interact. energy: -1.237 local terms energy: -774.605709 where: bonds (distance) C4'-P energy: -140.440 bonds (distance) P-C4' energy: -159.544 flat angles C4'-P-C4' energy: -167.665 flat angles P-C4'-P energy: -112.833 tors. eta vs tors. theta energy: -194.124 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: 9 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1912.403297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.403297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.403297 (E_RNA) where: Base-Base interactions energy: -1256.659 where: short stacking energy: -543.809 Base-Backbone interact. energy: -1.545 local terms energy: -654.199003 where: bonds (distance) C4'-P energy: -152.327 bonds (distance) P-C4' energy: -141.649 flat angles C4'-P-C4' energy: -161.950 flat angles P-C4'-P energy: -88.306 tors. eta vs tors. theta energy: -109.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -1656.798230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.798230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.798230 (E_RNA) where: Base-Base interactions energy: -1055.737 where: short stacking energy: -485.632 Base-Backbone interact. energy: -3.942 local terms energy: -597.119052 where: bonds (distance) C4'-P energy: -139.815 bonds (distance) P-C4' energy: -147.884 flat angles C4'-P-C4' energy: -138.278 flat angles P-C4'-P energy: -92.905 tors. eta vs tors. theta energy: -78.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -1607.896550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.896550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.896550 (E_RNA) where: Base-Base interactions energy: -1052.139 where: short stacking energy: -460.470 Base-Backbone interact. energy: 5.690 local terms energy: -561.447820 where: bonds (distance) C4'-P energy: -111.873 bonds (distance) P-C4' energy: -145.752 flat angles C4'-P-C4' energy: -140.117 flat angles P-C4'-P energy: -85.428 tors. eta vs tors. theta energy: -78.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -3272.287837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3272.287837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3272.287837 (E_RNA) where: Base-Base interactions energy: -2297.744 where: short stacking energy: -974.049 Base-Backbone interact. energy: -2.920 local terms energy: -971.623747 where: bonds (distance) C4'-P energy: -190.576 bonds (distance) P-C4' energy: -166.308 flat angles C4'-P-C4' energy: -195.149 flat angles P-C4'-P energy: -136.316 tors. eta vs tors. theta energy: -283.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -3168.269158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.269158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.269158 (E_RNA) where: Base-Base interactions energy: -2197.024 where: short stacking energy: -934.209 Base-Backbone interact. energy: 0.843 local terms energy: -972.088535 where: bonds (distance) C4'-P energy: -168.661 bonds (distance) P-C4' energy: -177.361 flat angles C4'-P-C4' energy: -204.791 flat angles P-C4'-P energy: -147.780 tors. eta vs tors. theta energy: -273.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -2985.069050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2985.069050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2985.069050 (E_RNA) where: Base-Base interactions energy: -2058.264 where: short stacking energy: -877.570 Base-Backbone interact. energy: -5.549 local terms energy: -921.255658 where: bonds (distance) C4'-P energy: -165.414 bonds (distance) P-C4' energy: -159.854 flat angles C4'-P-C4' energy: -205.168 flat angles P-C4'-P energy: -132.377 tors. eta vs tors. theta energy: -258.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -2928.599979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2928.599979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2928.599979 (E_RNA) where: Base-Base interactions energy: -2005.394 where: short stacking energy: -849.605 Base-Backbone interact. energy: -3.659 local terms energy: -919.546780 where: bonds (distance) C4'-P energy: -154.810 bonds (distance) P-C4' energy: -162.150 flat angles C4'-P-C4' energy: -188.494 flat angles P-C4'-P energy: -151.860 tors. eta vs tors. theta energy: -262.233 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: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -2708.964085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2708.964085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2708.964085 (E_RNA) where: Base-Base interactions energy: -1871.111 where: short stacking energy: -811.851 Base-Backbone interact. energy: -0.825 local terms energy: -837.027746 where: bonds (distance) C4'-P energy: -158.250 bonds (distance) P-C4' energy: -166.504 flat angles C4'-P-C4' energy: -176.101 flat angles P-C4'-P energy: -127.658 tors. eta vs tors. theta energy: -208.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -2532.646179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.646179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.646179 (E_RNA) where: Base-Base interactions energy: -1698.209 where: short stacking energy: -734.375 Base-Backbone interact. energy: -1.073 local terms energy: -833.363425 where: bonds (distance) C4'-P energy: -155.086 bonds (distance) P-C4' energy: -175.792 flat angles C4'-P-C4' energy: -180.136 flat angles P-C4'-P energy: -113.284 tors. eta vs tors. theta energy: -209.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -2411.422168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.422168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.422168 (E_RNA) where: Base-Base interactions energy: -1645.250 where: short stacking energy: -674.481 Base-Backbone interact. energy: -0.961 local terms energy: -765.211697 where: bonds (distance) C4'-P energy: -151.454 bonds (distance) P-C4' energy: -170.431 flat angles C4'-P-C4' energy: -154.427 flat angles P-C4'-P energy: -112.697 tors. eta vs tors. theta energy: -176.203 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: 9 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1986.146564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.146564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.146564 (E_RNA) where: Base-Base interactions energy: -1315.705 where: short stacking energy: -566.293 Base-Backbone interact. energy: 1.840 local terms energy: -672.281498 where: bonds (distance) C4'-P energy: -138.029 bonds (distance) P-C4' energy: -165.461 flat angles C4'-P-C4' energy: -147.202 flat angles P-C4'-P energy: -97.439 tors. eta vs tors. theta energy: -124.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -1696.536555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.536555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.536555 (E_RNA) where: Base-Base interactions energy: -1062.449 where: short stacking energy: -484.772 Base-Backbone interact. energy: 1.567 local terms energy: -635.654582 where: bonds (distance) C4'-P energy: -134.887 bonds (distance) P-C4' energy: -153.744 flat angles C4'-P-C4' energy: -158.702 flat angles P-C4'-P energy: -79.717 tors. eta vs tors. theta energy: -108.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -1617.823895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.823895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.823895 (E_RNA) where: Base-Base interactions energy: -1026.984 where: short stacking energy: -458.671 Base-Backbone interact. energy: -1.803 local terms energy: -589.037304 where: bonds (distance) C4'-P energy: -147.316 bonds (distance) P-C4' energy: -137.900 flat angles C4'-P-C4' energy: -126.446 flat angles P-C4'-P energy: -95.157 tors. eta vs tors. theta energy: -82.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -3335.919568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3335.919568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3335.919568 (E_RNA) where: Base-Base interactions energy: -2332.295 where: short stacking energy: -993.108 Base-Backbone interact. energy: -4.808 local terms energy: -998.816679 where: bonds (distance) C4'-P energy: -189.673 bonds (distance) P-C4' energy: -186.317 flat angles C4'-P-C4' energy: -197.473 flat angles P-C4'-P energy: -145.374 tors. eta vs tors. theta energy: -279.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -3135.514448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3135.514448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3135.514448 (E_RNA) where: Base-Base interactions energy: -2183.221 where: short stacking energy: -925.530 Base-Backbone interact. energy: -0.030 local terms energy: -952.263415 where: bonds (distance) C4'-P energy: -176.800 bonds (distance) P-C4' energy: -175.523 flat angles C4'-P-C4' energy: -197.027 flat angles P-C4'-P energy: -136.296 tors. eta vs tors. theta energy: -266.617 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: 8 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -3000.469226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.469226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.469226 (E_RNA) where: Base-Base interactions energy: -2111.197 where: short stacking energy: -899.876 Base-Backbone interact. energy: -5.661 local terms energy: -883.612057 where: bonds (distance) C4'-P energy: -155.369 bonds (distance) P-C4' energy: -173.055 flat angles C4'-P-C4' energy: -196.606 flat angles P-C4'-P energy: -93.050 tors. eta vs tors. theta energy: -265.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -2924.948946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2924.948946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2924.948946 (E_RNA) where: Base-Base interactions energy: -2046.278 where: short stacking energy: -845.935 Base-Backbone interact. energy: -2.541 local terms energy: -876.130135 where: bonds (distance) C4'-P energy: -160.025 bonds (distance) P-C4' energy: -159.670 flat angles C4'-P-C4' energy: -191.201 flat angles P-C4'-P energy: -130.366 tors. eta vs tors. theta energy: -234.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -2735.340822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2735.340822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2735.340822 (E_RNA) where: Base-Base interactions energy: -1888.987 where: short stacking energy: -822.179 Base-Backbone interact. energy: -7.472 local terms energy: -838.881801 where: bonds (distance) C4'-P energy: -144.889 bonds (distance) P-C4' energy: -172.308 flat angles C4'-P-C4' energy: -179.636 flat angles P-C4'-P energy: -110.934 tors. eta vs tors. theta energy: -231.116 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: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -2544.123024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2544.123024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2544.123024 (E_RNA) where: Base-Base interactions energy: -1752.756 where: short stacking energy: -735.641 Base-Backbone interact. energy: 0.624 local terms energy: -791.990909 where: bonds (distance) C4'-P energy: -150.462 bonds (distance) P-C4' energy: -173.865 flat angles C4'-P-C4' energy: -161.765 flat angles P-C4'-P energy: -109.931 tors. eta vs tors. theta energy: -195.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -2400.786836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2400.786836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2400.786836 (E_RNA) where: Base-Base interactions energy: -1656.086 where: short stacking energy: -705.164 Base-Backbone interact. energy: 3.016 local terms energy: -747.716543 where: bonds (distance) C4'-P energy: -145.215 bonds (distance) P-C4' energy: -136.870 flat angles C4'-P-C4' energy: -177.960 flat angles P-C4'-P energy: -121.030 tors. eta vs tors. theta energy: -166.642 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: 9 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1935.004943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.004943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.004943 (E_RNA) where: Base-Base interactions energy: -1278.284 where: short stacking energy: -564.137 Base-Backbone interact. energy: -1.191 local terms energy: -655.530407 where: bonds (distance) C4'-P energy: -143.902 bonds (distance) P-C4' energy: -151.223 flat angles C4'-P-C4' energy: -146.821 flat angles P-C4'-P energy: -106.285 tors. eta vs tors. theta energy: -107.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -1621.909091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.909091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.909091 (E_RNA) where: Base-Base interactions energy: -1039.510 where: short stacking energy: -462.001 Base-Backbone interact. energy: -3.769 local terms energy: -578.630267 where: bonds (distance) C4'-P energy: -126.682 bonds (distance) P-C4' energy: -146.318 flat angles C4'-P-C4' energy: -139.539 flat angles P-C4'-P energy: -81.217 tors. eta vs tors. theta energy: -84.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -1633.835623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.835623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.835623 (E_RNA) where: Base-Base interactions energy: -1087.205 where: short stacking energy: -471.360 Base-Backbone interact. energy: 5.954 local terms energy: -552.584641 where: bonds (distance) C4'-P energy: -150.942 bonds (distance) P-C4' energy: -131.599 flat angles C4'-P-C4' energy: -139.061 flat angles P-C4'-P energy: -59.053 tors. eta vs tors. theta energy: -71.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -3315.421469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3315.421469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3315.421469 (E_RNA) where: Base-Base interactions energy: -2382.347 where: short stacking energy: -976.032 Base-Backbone interact. energy: -0.110 local terms energy: -932.964490 where: bonds (distance) C4'-P energy: -177.323 bonds (distance) P-C4' energy: -167.605 flat angles C4'-P-C4' energy: -193.787 flat angles P-C4'-P energy: -137.792 tors. eta vs tors. theta energy: -256.456 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: 1 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -3160.213896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.213896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.213896 (E_RNA) where: Base-Base interactions energy: -2208.973 where: short stacking energy: -913.559 Base-Backbone interact. energy: 0.534 local terms energy: -951.774742 where: bonds (distance) C4'-P energy: -172.032 bonds (distance) P-C4' energy: -184.123 flat angles C4'-P-C4' energy: -186.164 flat angles P-C4'-P energy: -137.158 tors. eta vs tors. theta energy: -272.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -2974.884634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2974.884634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2974.884634 (E_RNA) where: Base-Base interactions energy: -2052.339 where: short stacking energy: -859.565 Base-Backbone interact. energy: -6.015 local terms energy: -916.530955 where: bonds (distance) C4'-P energy: -175.793 bonds (distance) P-C4' energy: -179.612 flat angles C4'-P-C4' energy: -205.110 flat angles P-C4'-P energy: -122.199 tors. eta vs tors. theta energy: -233.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -2888.971832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2888.971832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2888.971832 (E_RNA) where: Base-Base interactions energy: -1993.083 where: short stacking energy: -834.533 Base-Backbone interact. energy: 1.181 local terms energy: -897.069725 where: bonds (distance) C4'-P energy: -162.989 bonds (distance) P-C4' energy: -175.117 flat angles C4'-P-C4' energy: -191.933 flat angles P-C4'-P energy: -121.532 tors. eta vs tors. theta energy: -245.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -2731.347816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.347816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.347816 (E_RNA) where: Base-Base interactions energy: -1863.483 where: short stacking energy: -815.209 Base-Backbone interact. energy: 0.308 local terms energy: -868.173590 where: bonds (distance) C4'-P energy: -173.415 bonds (distance) P-C4' energy: -156.095 flat angles C4'-P-C4' energy: -196.366 flat angles P-C4'-P energy: -120.896 tors. eta vs tors. theta energy: -221.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -2512.215462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.215462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.215462 (E_RNA) where: Base-Base interactions energy: -1725.453 where: short stacking energy: -730.579 Base-Backbone interact. energy: 1.630 local terms energy: -788.392496 where: bonds (distance) C4'-P energy: -135.438 bonds (distance) P-C4' energy: -170.812 flat angles C4'-P-C4' energy: -181.025 flat angles P-C4'-P energy: -96.227 tors. eta vs tors. theta energy: -204.891 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: 7, replica: 3 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -2324.142356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2324.142356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2324.142356 (E_RNA) where: Base-Base interactions energy: -1528.425 where: short stacking energy: -647.769 Base-Backbone interact. energy: -4.649 local terms energy: -791.068802 where: bonds (distance) C4'-P energy: -153.609 bonds (distance) P-C4' energy: -161.751 flat angles C4'-P-C4' energy: -188.270 flat angles P-C4'-P energy: -113.796 tors. eta vs tors. theta energy: -173.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1912.813252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.813252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.813252 (E_RNA) where: Base-Base interactions energy: -1259.022 where: short stacking energy: -556.929 Base-Backbone interact. energy: 0.115 local terms energy: -653.906466 where: bonds (distance) C4'-P energy: -154.870 bonds (distance) P-C4' energy: -160.791 flat angles C4'-P-C4' energy: -146.893 flat angles P-C4'-P energy: -86.931 tors. eta vs tors. theta energy: -104.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -1653.218067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.218067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.218067 (E_RNA) where: Base-Base interactions energy: -1053.266 where: short stacking energy: -503.991 Base-Backbone interact. energy: 11.570 local terms energy: -611.521934 where: bonds (distance) C4'-P energy: -131.032 bonds (distance) P-C4' energy: -156.300 flat angles C4'-P-C4' energy: -139.043 flat angles P-C4'-P energy: -103.661 tors. eta vs tors. theta energy: -81.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -1684.231948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.231948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.231948 (E_RNA) where: Base-Base interactions energy: -1065.509 where: short stacking energy: -497.742 Base-Backbone interact. energy: 10.326 local terms energy: -629.048713 where: bonds (distance) C4'-P energy: -155.891 bonds (distance) P-C4' energy: -146.807 flat angles C4'-P-C4' energy: -141.342 flat angles P-C4'-P energy: -95.135 tors. eta vs tors. theta energy: -89.873 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: 2 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -3300.351371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3300.351371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3300.351371 (E_RNA) where: Base-Base interactions energy: -2331.006 where: short stacking energy: -964.562 Base-Backbone interact. energy: -2.234 local terms energy: -967.111902 where: bonds (distance) C4'-P energy: -160.587 bonds (distance) P-C4' energy: -187.835 flat angles C4'-P-C4' energy: -205.849 flat angles P-C4'-P energy: -143.364 tors. eta vs tors. theta energy: -269.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -3164.688619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3164.688619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3164.688619 (E_RNA) where: Base-Base interactions energy: -2181.894 where: short stacking energy: -935.105 Base-Backbone interact. energy: -2.734 local terms energy: -980.060338 where: bonds (distance) C4'-P energy: -176.056 bonds (distance) P-C4' energy: -180.470 flat angles C4'-P-C4' energy: -211.610 flat angles P-C4'-P energy: -132.658 tors. eta vs tors. theta energy: -279.267 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: 3, replica: 8 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -2950.080164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2950.080164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2950.080164 (E_RNA) where: Base-Base interactions energy: -2034.541 where: short stacking energy: -823.873 Base-Backbone interact. energy: -11.369 local terms energy: -904.169839 where: bonds (distance) C4'-P energy: -173.286 bonds (distance) P-C4' energy: -178.064 flat angles C4'-P-C4' energy: -195.170 flat angles P-C4'-P energy: -125.584 tors. eta vs tors. theta energy: -232.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -2934.683043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.683043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.683043 (E_RNA) where: Base-Base interactions energy: -2040.472 where: short stacking energy: -819.499 Base-Backbone interact. energy: -0.082 local terms energy: -894.129708 where: bonds (distance) C4'-P energy: -172.163 bonds (distance) P-C4' energy: -167.154 flat angles C4'-P-C4' energy: -183.245 flat angles P-C4'-P energy: -130.013 tors. eta vs tors. theta energy: -241.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -2773.091435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2773.091435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2773.091435 (E_RNA) where: Base-Base interactions energy: -1930.009 where: short stacking energy: -826.471 Base-Backbone interact. energy: -2.605 local terms energy: -840.477342 where: bonds (distance) C4'-P energy: -143.257 bonds (distance) P-C4' energy: -164.805 flat angles C4'-P-C4' energy: -179.517 flat angles P-C4'-P energy: -119.202 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: 6, replica: 4 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -2578.931249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.931249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.931249 (E_RNA) where: Base-Base interactions energy: -1777.227 where: short stacking energy: -790.114 Base-Backbone interact. energy: -4.162 local terms energy: -797.542639 where: bonds (distance) C4'-P energy: -155.158 bonds (distance) P-C4' energy: -150.545 flat angles C4'-P-C4' energy: -168.872 flat angles P-C4'-P energy: -120.010 tors. eta vs tors. theta energy: -202.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -2441.093504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2441.093504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2441.093504 (E_RNA) where: Base-Base interactions energy: -1644.325 where: short stacking energy: -700.582 Base-Backbone interact. energy: -3.552 local terms energy: -793.217052 where: bonds (distance) C4'-P energy: -136.485 bonds (distance) P-C4' energy: -175.171 flat angles C4'-P-C4' energy: -189.717 flat angles P-C4'-P energy: -98.805 tors. eta vs tors. theta energy: -193.039 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: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1960.809962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.809962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.809962 (E_RNA) where: Base-Base interactions energy: -1278.590 where: short stacking energy: -565.734 Base-Backbone interact. energy: -2.038 local terms energy: -680.181908 where: bonds (distance) C4'-P energy: -154.009 bonds (distance) P-C4' energy: -142.411 flat angles C4'-P-C4' energy: -160.807 flat angles P-C4'-P energy: -89.594 tors. eta vs tors. theta energy: -133.361 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: 10 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -1620.917864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.917864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.917864 (E_RNA) where: Base-Base interactions energy: -1014.915 where: short stacking energy: -468.294 Base-Backbone interact. energy: 2.554 local terms energy: -608.557589 where: bonds (distance) C4'-P energy: -134.438 bonds (distance) P-C4' energy: -142.386 flat angles C4'-P-C4' energy: -155.759 flat angles P-C4'-P energy: -82.248 tors. eta vs tors. theta energy: -93.727 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: 5 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -1610.777021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.777021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.777021 (E_RNA) where: Base-Base interactions energy: -1043.913 where: short stacking energy: -486.006 Base-Backbone interact. energy: 5.799 local terms energy: -572.663195 where: bonds (distance) C4'-P energy: -111.467 bonds (distance) P-C4' energy: -168.944 flat angles C4'-P-C4' energy: -120.748 flat angles P-C4'-P energy: -85.451 tors. eta vs tors. theta energy: -86.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -3282.061023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3282.061023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3282.061023 (E_RNA) where: Base-Base interactions energy: -2281.293 where: short stacking energy: -953.034 Base-Backbone interact. energy: 1.078 local terms energy: -1001.846736 where: bonds (distance) C4'-P energy: -185.166 bonds (distance) P-C4' energy: -196.480 flat angles C4'-P-C4' energy: -207.602 flat angles P-C4'-P energy: -142.061 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: 1 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -3184.544790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3184.544790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3184.544790 (E_RNA) where: Base-Base interactions energy: -2220.568 where: short stacking energy: -948.637 Base-Backbone interact. energy: -4.174 local terms energy: -959.802642 where: bonds (distance) C4'-P energy: -178.030 bonds (distance) P-C4' energy: -159.989 flat angles C4'-P-C4' energy: -208.865 flat angles P-C4'-P energy: -131.221 tors. eta vs tors. theta energy: -281.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -3047.688979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.688979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.688979 (E_RNA) where: Base-Base interactions energy: -2107.535 where: short stacking energy: -890.942 Base-Backbone interact. energy: -4.763 local terms energy: -935.390915 where: bonds (distance) C4'-P energy: -171.362 bonds (distance) P-C4' energy: -165.942 flat angles C4'-P-C4' energy: -207.023 flat angles P-C4'-P energy: -145.040 tors. eta vs tors. theta energy: -246.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -2922.886515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.886515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.886515 (E_RNA) where: Base-Base interactions energy: -2039.647 where: short stacking energy: -882.392 Base-Backbone interact. energy: -1.381 local terms energy: -881.858358 where: bonds (distance) C4'-P energy: -154.885 bonds (distance) P-C4' energy: -158.160 flat angles C4'-P-C4' energy: -192.627 flat angles P-C4'-P energy: -122.712 tors. eta vs tors. theta energy: -253.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -2761.188143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2761.188143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2761.188143 (E_RNA) where: Base-Base interactions energy: -1902.203 where: short stacking energy: -833.306 Base-Backbone interact. energy: -2.246 local terms energy: -856.738959 where: bonds (distance) C4'-P energy: -174.460 bonds (distance) P-C4' energy: -157.680 flat angles C4'-P-C4' energy: -171.736 flat angles P-C4'-P energy: -121.117 tors. eta vs tors. theta energy: -231.746 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: 6, replica: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -2529.848279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2529.848279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2529.848279 (E_RNA) where: Base-Base interactions energy: -1730.783 where: short stacking energy: -756.683 Base-Backbone interact. energy: -5.149 local terms energy: -793.916986 where: bonds (distance) C4'-P energy: -165.900 bonds (distance) P-C4' energy: -159.237 flat angles C4'-P-C4' energy: -173.838 flat angles P-C4'-P energy: -98.332 tors. eta vs tors. theta energy: -196.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -2485.791205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.791205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.791205 (E_RNA) where: Base-Base interactions energy: -1693.904 where: short stacking energy: -709.841 Base-Backbone interact. energy: -0.373 local terms energy: -791.514141 where: bonds (distance) C4'-P energy: -159.368 bonds (distance) P-C4' energy: -152.541 flat angles C4'-P-C4' energy: -165.287 flat angles P-C4'-P energy: -116.222 tors. eta vs tors. theta energy: -198.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1978.725736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.725736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.725736 (E_RNA) where: Base-Base interactions energy: -1339.557 where: short stacking energy: -569.628 Base-Backbone interact. energy: -0.510 local terms energy: -638.658704 where: bonds (distance) C4'-P energy: -152.136 bonds (distance) P-C4' energy: -130.996 flat angles C4'-P-C4' energy: -158.309 flat angles P-C4'-P energy: -57.158 tors. eta vs tors. theta energy: -140.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -1646.154520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.154520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.154520 (E_RNA) where: Base-Base interactions energy: -989.918 where: short stacking energy: -468.207 Base-Backbone interact. energy: 2.952 local terms energy: -659.188650 where: bonds (distance) C4'-P energy: -141.567 bonds (distance) P-C4' energy: -165.621 flat angles C4'-P-C4' energy: -154.484 flat angles P-C4'-P energy: -97.660 tors. eta vs tors. theta energy: -99.857 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: 10, replica: 5 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -1644.300387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.300387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.300387 (E_RNA) where: Base-Base interactions energy: -1036.547 where: short stacking energy: -453.468 Base-Backbone interact. energy: 3.876 local terms energy: -611.629837 where: bonds (distance) C4'-P energy: -152.033 bonds (distance) P-C4' energy: -144.752 flat angles C4'-P-C4' energy: -143.807 flat angles P-C4'-P energy: -93.298 tors. eta vs tors. theta energy: -77.741 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: 2 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -3283.763017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3283.763017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3283.763017 (E_RNA) where: Base-Base interactions energy: -2301.807 where: short stacking energy: -966.374 Base-Backbone interact. energy: -4.052 local terms energy: -977.904644 where: bonds (distance) C4'-P energy: -176.375 bonds (distance) P-C4' energy: -170.447 flat angles C4'-P-C4' energy: -208.306 flat angles P-C4'-P energy: -138.534 tors. eta vs tors. theta energy: -284.242 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: 1 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -3167.012062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.012062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.012062 (E_RNA) where: Base-Base interactions energy: -2166.361 where: short stacking energy: -956.912 Base-Backbone interact. energy: -4.986 local terms energy: -995.664781 where: bonds (distance) C4'-P energy: -183.101 bonds (distance) P-C4' energy: -167.715 flat angles C4'-P-C4' energy: -209.773 flat angles P-C4'-P energy: -146.368 tors. eta vs tors. theta energy: -288.707 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: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -3037.271828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.271828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.271828 (E_RNA) where: Base-Base interactions energy: -2100.259 where: short stacking energy: -916.390 Base-Backbone interact. energy: -5.480 local terms energy: -931.533122 where: bonds (distance) C4'-P energy: -171.802 bonds (distance) P-C4' energy: -171.009 flat angles C4'-P-C4' energy: -198.701 flat angles P-C4'-P energy: -122.481 tors. eta vs tors. theta energy: -267.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -2873.184130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.184130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.184130 (E_RNA) where: Base-Base interactions energy: -1984.762 where: short stacking energy: -844.404 Base-Backbone interact. energy: -0.407 local terms energy: -888.015177 where: bonds (distance) C4'-P energy: -161.005 bonds (distance) P-C4' energy: -163.441 flat angles C4'-P-C4' energy: -196.402 flat angles P-C4'-P energy: -133.866 tors. eta vs tors. theta energy: -233.301 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: 6 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -2765.368367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.368367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.368367 (E_RNA) where: Base-Base interactions energy: -1894.708 where: short stacking energy: -831.553 Base-Backbone interact. energy: -4.816 local terms energy: -865.843983 where: bonds (distance) C4'-P energy: -152.253 bonds (distance) P-C4' energy: -157.352 flat angles C4'-P-C4' energy: -183.325 flat angles P-C4'-P energy: -128.974 tors. eta vs tors. theta energy: -243.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -2543.669158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2543.669158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2543.669158 (E_RNA) where: Base-Base interactions energy: -1740.677 where: short stacking energy: -745.254 Base-Backbone interact. energy: -3.934 local terms energy: -799.058529 where: bonds (distance) C4'-P energy: -150.033 bonds (distance) P-C4' energy: -163.606 flat angles C4'-P-C4' energy: -169.590 flat angles P-C4'-P energy: -106.741 tors. eta vs tors. theta energy: -209.089 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: 3 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -2488.219836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.219836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.219836 (E_RNA) where: Base-Base interactions energy: -1698.392 where: short stacking energy: -727.716 Base-Backbone interact. energy: 4.943 local terms energy: -794.771074 where: bonds (distance) C4'-P energy: -155.275 bonds (distance) P-C4' energy: -143.632 flat angles C4'-P-C4' energy: -164.483 flat angles P-C4'-P energy: -132.849 tors. eta vs tors. theta energy: -198.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1939.433106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1939.433106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1939.433106 (E_RNA) where: Base-Base interactions energy: -1255.956 where: short stacking energy: -552.864 Base-Backbone interact. energy: 0.353 local terms energy: -683.830212 where: bonds (distance) C4'-P energy: -143.340 bonds (distance) P-C4' energy: -154.585 flat angles C4'-P-C4' energy: -168.173 flat angles P-C4'-P energy: -88.660 tors. eta vs tors. theta energy: -129.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -1669.542686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.542686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.542686 (E_RNA) where: Base-Base interactions energy: -1071.977 where: short stacking energy: -497.902 Base-Backbone interact. energy: 0.633 local terms energy: -598.198954 where: bonds (distance) C4'-P energy: -133.580 bonds (distance) P-C4' energy: -129.373 flat angles C4'-P-C4' energy: -153.503 flat angles P-C4'-P energy: -94.323 tors. eta vs tors. theta energy: -87.421 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: 5 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -1601.211577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.211577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.211577 (E_RNA) where: Base-Base interactions energy: -1051.055 where: short stacking energy: -457.069 Base-Backbone interact. energy: -0.139 local terms energy: -550.017424 where: bonds (distance) C4'-P energy: -122.691 bonds (distance) P-C4' energy: -141.595 flat angles C4'-P-C4' energy: -145.256 flat angles P-C4'-P energy: -68.684 tors. eta vs tors. theta energy: -71.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -3302.405552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3302.405552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3302.405552 (E_RNA) where: Base-Base interactions energy: -2311.419 where: short stacking energy: -971.794 Base-Backbone interact. energy: -2.076 local terms energy: -988.910597 where: bonds (distance) C4'-P energy: -178.040 bonds (distance) P-C4' energy: -177.287 flat angles C4'-P-C4' energy: -211.038 flat angles P-C4'-P energy: -141.032 tors. eta vs tors. theta energy: -281.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -3147.745573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3147.745573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3147.745573 (E_RNA) where: Base-Base interactions energy: -2174.812 where: short stacking energy: -936.750 Base-Backbone interact. energy: -3.436 local terms energy: -969.497174 where: bonds (distance) C4'-P energy: -181.435 bonds (distance) P-C4' energy: -169.541 flat angles C4'-P-C4' energy: -214.501 flat angles P-C4'-P energy: -119.682 tors. eta vs tors. theta energy: -284.338 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: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -2999.444364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2999.444364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2999.444364 (E_RNA) where: Base-Base interactions energy: -2075.832 where: short stacking energy: -887.273 Base-Backbone interact. energy: -1.489 local terms energy: -922.123885 where: bonds (distance) C4'-P energy: -155.233 bonds (distance) P-C4' energy: -176.257 flat angles C4'-P-C4' energy: -194.974 flat angles P-C4'-P energy: -130.163 tors. eta vs tors. theta energy: -265.496 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: 4, replica: 6 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -2883.343026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.343026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.343026 (E_RNA) where: Base-Base interactions energy: -2025.369 where: short stacking energy: -851.858 Base-Backbone interact. energy: -1.209 local terms energy: -856.765270 where: bonds (distance) C4'-P energy: -153.442 bonds (distance) P-C4' energy: -165.936 flat angles C4'-P-C4' energy: -195.979 flat angles P-C4'-P energy: -104.261 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: 5, replica: 7 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -2850.172984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.172984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.172984 (E_RNA) where: Base-Base interactions energy: -2007.546 where: short stacking energy: -867.522 Base-Backbone interact. energy: -6.961 local terms energy: -835.665255 where: bonds (distance) C4'-P energy: -140.828 bonds (distance) P-C4' energy: -169.766 flat angles C4'-P-C4' energy: -183.739 flat angles P-C4'-P energy: -106.742 tors. eta vs tors. theta energy: -234.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -2528.561135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2528.561135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2528.561135 (E_RNA) where: Base-Base interactions energy: -1729.574 where: short stacking energy: -721.137 Base-Backbone interact. energy: -3.790 local terms energy: -795.196850 where: bonds (distance) C4'-P energy: -153.996 bonds (distance) P-C4' energy: -173.997 flat angles C4'-P-C4' energy: -165.921 flat angles P-C4'-P energy: -97.033 tors. eta vs tors. theta energy: -204.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -2458.733018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.733018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.733018 (E_RNA) where: Base-Base interactions energy: -1691.216 where: short stacking energy: -722.981 Base-Backbone interact. energy: -0.469 local terms energy: -767.048104 where: bonds (distance) C4'-P energy: -145.622 bonds (distance) P-C4' energy: -149.404 flat angles C4'-P-C4' energy: -181.951 flat angles P-C4'-P energy: -102.153 tors. eta vs tors. theta energy: -187.918 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: 9 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1935.152209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.152209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.152209 (E_RNA) where: Base-Base interactions energy: -1263.557 where: short stacking energy: -541.972 Base-Backbone interact. energy: 5.651 local terms energy: -677.246836 where: bonds (distance) C4'-P energy: -155.490 bonds (distance) P-C4' energy: -149.086 flat angles C4'-P-C4' energy: -144.414 flat angles P-C4'-P energy: -104.779 tors. eta vs tors. theta energy: -123.477 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: 10 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -1657.505844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.505844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.505844 (E_RNA) where: Base-Base interactions energy: -1072.428 where: short stacking energy: -502.021 Base-Backbone interact. energy: -0.567 local terms energy: -584.510539 where: bonds (distance) C4'-P energy: -146.228 bonds (distance) P-C4' energy: -133.133 flat angles C4'-P-C4' energy: -132.770 flat angles P-C4'-P energy: -76.992 tors. eta vs tors. theta energy: -95.387 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: 5 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -1594.587322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.587322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.587322 (E_RNA) where: Base-Base interactions energy: -1002.627 where: short stacking energy: -432.101 Base-Backbone interact. energy: 5.237 local terms energy: -597.197496 where: bonds (distance) C4'-P energy: -136.863 bonds (distance) P-C4' energy: -146.148 flat angles C4'-P-C4' energy: -161.878 flat angles P-C4'-P energy: -89.224 tors. eta vs tors. theta energy: -63.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -3300.225526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3300.225526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3300.225526 (E_RNA) where: Base-Base interactions energy: -2330.360 where: short stacking energy: -957.383 Base-Backbone interact. energy: -1.891 local terms energy: -967.974571 where: bonds (distance) C4'-P energy: -160.263 bonds (distance) P-C4' energy: -189.504 flat angles C4'-P-C4' energy: -201.377 flat angles P-C4'-P energy: -136.847 tors. eta vs tors. theta energy: -279.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -3173.039141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.039141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.039141 (E_RNA) where: Base-Base interactions energy: -2217.706 where: short stacking energy: -953.931 Base-Backbone interact. energy: 0.732 local terms energy: -956.064268 where: bonds (distance) C4'-P energy: -170.215 bonds (distance) P-C4' energy: -170.360 flat angles C4'-P-C4' energy: -203.700 flat angles P-C4'-P energy: -124.651 tors. eta vs tors. theta energy: -287.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -3020.344062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.344062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.344062 (E_RNA) where: Base-Base interactions energy: -2090.597 where: short stacking energy: -894.176 Base-Backbone interact. energy: -4.441 local terms energy: -925.305825 where: bonds (distance) C4'-P energy: -159.389 bonds (distance) P-C4' energy: -181.437 flat angles C4'-P-C4' energy: -186.556 flat angles P-C4'-P energy: -137.063 tors. eta vs tors. theta energy: -260.860 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: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -2899.938421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.938421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.938421 (E_RNA) where: Base-Base interactions energy: -2011.735 where: short stacking energy: -862.769 Base-Backbone interact. energy: 1.260 local terms energy: -889.463261 where: bonds (distance) C4'-P energy: -156.526 bonds (distance) P-C4' energy: -158.295 flat angles C4'-P-C4' energy: -210.911 flat angles P-C4'-P energy: -120.502 tors. eta vs tors. theta energy: -243.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -2814.486108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.486108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.486108 (E_RNA) where: Base-Base interactions energy: -1970.731 where: short stacking energy: -809.564 Base-Backbone interact. energy: 1.389 local terms energy: -845.143867 where: bonds (distance) C4'-P energy: -142.027 bonds (distance) P-C4' energy: -163.084 flat angles C4'-P-C4' energy: -198.150 flat angles P-C4'-P energy: -109.920 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: 6, replica: 4 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -2472.995435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2472.995435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2472.995435 (E_RNA) where: Base-Base interactions energy: -1710.435 where: short stacking energy: -748.337 Base-Backbone interact. energy: -0.607 local terms energy: -761.954244 where: bonds (distance) C4'-P energy: -154.021 bonds (distance) P-C4' energy: -144.727 flat angles C4'-P-C4' energy: -170.795 flat angles P-C4'-P energy: -97.541 tors. eta vs tors. theta energy: -194.870 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: 3 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -2455.731858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.731858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.731858 (E_RNA) where: Base-Base interactions energy: -1701.510 where: short stacking energy: -713.400 Base-Backbone interact. energy: 0.958 local terms energy: -755.179597 where: bonds (distance) C4'-P energy: -153.259 bonds (distance) P-C4' energy: -141.063 flat angles C4'-P-C4' energy: -155.321 flat angles P-C4'-P energy: -116.895 tors. eta vs tors. theta energy: -188.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1993.784143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.784143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.784143 (E_RNA) where: Base-Base interactions energy: -1324.082 where: short stacking energy: -556.311 Base-Backbone interact. energy: 15.616 local terms energy: -685.318179 where: bonds (distance) C4'-P energy: -146.390 bonds (distance) P-C4' energy: -140.886 flat angles C4'-P-C4' energy: -158.402 flat angles P-C4'-P energy: -117.439 tors. eta vs tors. theta energy: -122.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -1639.890225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.890225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.890225 (E_RNA) where: Base-Base interactions energy: -1046.921 where: short stacking energy: -505.054 Base-Backbone interact. energy: 2.272 local terms energy: -595.241635 where: bonds (distance) C4'-P energy: -136.274 bonds (distance) P-C4' energy: -144.094 flat angles C4'-P-C4' energy: -148.752 flat angles P-C4'-P energy: -85.724 tors. eta vs tors. theta energy: -80.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -1629.000909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.000909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.000909 (E_RNA) where: Base-Base interactions energy: -1082.269 where: short stacking energy: -516.989 Base-Backbone interact. energy: 0.249 local terms energy: -546.980803 where: bonds (distance) C4'-P energy: -130.133 bonds (distance) P-C4' energy: -139.076 flat angles C4'-P-C4' energy: -112.910 flat angles P-C4'-P energy: -84.329 tors. eta vs tors. theta energy: -80.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -3296.111024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.111024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.111024 (E_RNA) where: Base-Base interactions energy: -2301.048 where: short stacking energy: -974.338 Base-Backbone interact. energy: -4.180 local terms energy: -990.882891 where: bonds (distance) C4'-P energy: -184.248 bonds (distance) P-C4' energy: -184.262 flat angles C4'-P-C4' energy: -209.751 flat angles P-C4'-P energy: -135.555 tors. eta vs tors. theta energy: -277.067 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: 1 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -3158.300691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.300691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.300691 (E_RNA) where: Base-Base interactions energy: -2209.090 where: short stacking energy: -949.247 Base-Backbone interact. energy: -4.762 local terms energy: -944.448714 where: bonds (distance) C4'-P energy: -167.381 bonds (distance) P-C4' energy: -174.084 flat angles C4'-P-C4' energy: -199.664 flat angles P-C4'-P energy: -127.448 tors. eta vs tors. theta energy: -275.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -2991.918491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2991.918491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2991.918491 (E_RNA) where: Base-Base interactions energy: -2062.583 where: short stacking energy: -885.968 Base-Backbone interact. energy: -3.960 local terms energy: -925.375577 where: bonds (distance) C4'-P energy: -162.241 bonds (distance) P-C4' energy: -169.951 flat angles C4'-P-C4' energy: -200.021 flat angles P-C4'-P energy: -143.545 tors. eta vs tors. theta energy: -249.617 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: 6 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -2927.865029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.865029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.865029 (E_RNA) where: Base-Base interactions energy: -2018.109 where: short stacking energy: -867.836 Base-Backbone interact. energy: -6.283 local terms energy: -903.473628 where: bonds (distance) C4'-P energy: -157.971 bonds (distance) P-C4' energy: -174.547 flat angles C4'-P-C4' energy: -192.866 flat angles P-C4'-P energy: -137.825 tors. eta vs tors. theta energy: -240.264 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: 5, replica: 7 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -2794.942967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2794.942967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2794.942967 (E_RNA) where: Base-Base interactions energy: -1971.847 where: short stacking energy: -838.314 Base-Backbone interact. energy: 8.180 local terms energy: -831.275888 where: bonds (distance) C4'-P energy: -140.692 bonds (distance) P-C4' energy: -157.536 flat angles C4'-P-C4' energy: -176.621 flat angles P-C4'-P energy: -121.469 tors. eta vs tors. theta energy: -234.958 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: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -2513.639746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.639746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.639746 (E_RNA) where: Base-Base interactions energy: -1708.203 where: short stacking energy: -740.026 Base-Backbone interact. energy: 4.231 local terms energy: -809.667877 where: bonds (distance) C4'-P energy: -161.277 bonds (distance) P-C4' energy: -163.483 flat angles C4'-P-C4' energy: -172.016 flat angles P-C4'-P energy: -111.177 tors. eta vs tors. theta energy: -201.715 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: 3 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -2429.113037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2429.113037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2429.113037 (E_RNA) where: Base-Base interactions energy: -1644.663 where: short stacking energy: -728.246 Base-Backbone interact. energy: -1.128 local terms energy: -783.322315 where: bonds (distance) C4'-P energy: -145.071 bonds (distance) P-C4' energy: -147.979 flat angles C4'-P-C4' energy: -182.182 flat angles P-C4'-P energy: -115.992 tors. eta vs tors. theta energy: -192.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -2022.352983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.352983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.352983 (E_RNA) where: Base-Base interactions energy: -1330.573 where: short stacking energy: -608.430 Base-Backbone interact. energy: 0.620 local terms energy: -692.400228 where: bonds (distance) C4'-P energy: -146.838 bonds (distance) P-C4' energy: -162.991 flat angles C4'-P-C4' energy: -152.998 flat angles P-C4'-P energy: -83.304 tors. eta vs tors. theta energy: -146.269 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: 10 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -1666.526649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.526649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.526649 (E_RNA) where: Base-Base interactions energy: -1089.306 where: short stacking energy: -505.767 Base-Backbone interact. energy: 6.308 local terms energy: -583.528469 where: bonds (distance) C4'-P energy: -131.014 bonds (distance) P-C4' energy: -136.383 flat angles C4'-P-C4' energy: -139.234 flat angles P-C4'-P energy: -101.430 tors. eta vs tors. theta energy: -75.467 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: 5 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -1606.849047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.849047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.849047 (E_RNA) where: Base-Base interactions energy: -1032.866 where: short stacking energy: -457.857 Base-Backbone interact. energy: -0.595 local terms energy: -573.387699 where: bonds (distance) C4'-P energy: -129.993 bonds (distance) P-C4' energy: -155.499 flat angles C4'-P-C4' energy: -132.392 flat angles P-C4'-P energy: -89.795 tors. eta vs tors. theta energy: -65.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -3301.123645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.123645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.123645 (E_RNA) where: Base-Base interactions energy: -2335.932 where: short stacking energy: -971.905 Base-Backbone interact. energy: -2.753 local terms energy: -962.438254 where: bonds (distance) C4'-P energy: -165.940 bonds (distance) P-C4' energy: -177.489 flat angles C4'-P-C4' energy: -210.792 flat angles P-C4'-P energy: -130.428 tors. eta vs tors. theta energy: -277.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -3160.078727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.078727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.078727 (E_RNA) where: Base-Base interactions energy: -2209.706 where: short stacking energy: -956.931 Base-Backbone interact. energy: -2.423 local terms energy: -947.949498 where: bonds (distance) C4'-P energy: -169.570 bonds (distance) P-C4' energy: -155.132 flat angles C4'-P-C4' energy: -213.049 flat angles P-C4'-P energy: -143.359 tors. eta vs tors. theta energy: -266.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -2940.901368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2940.901368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2940.901368 (E_RNA) where: Base-Base interactions energy: -2014.403 where: short stacking energy: -864.733 Base-Backbone interact. energy: 0.821 local terms energy: -927.319556 where: bonds (distance) C4'-P energy: -173.827 bonds (distance) P-C4' energy: -165.671 flat angles C4'-P-C4' energy: -197.963 flat angles P-C4'-P energy: -147.838 tors. eta vs tors. theta energy: -242.020 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: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -2910.069259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2910.069259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2910.069259 (E_RNA) where: Base-Base interactions energy: -2018.308 where: short stacking energy: -863.451 Base-Backbone interact. energy: -1.354 local terms energy: -890.407324 where: bonds (distance) C4'-P energy: -160.133 bonds (distance) P-C4' energy: -163.773 flat angles C4'-P-C4' energy: -192.570 flat angles P-C4'-P energy: -137.104 tors. eta vs tors. theta energy: -236.827 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: 7 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -2779.224240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.224240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.224240 (E_RNA) where: Base-Base interactions energy: -1940.690 where: short stacking energy: -831.142 Base-Backbone interact. energy: 5.189 local terms energy: -843.722978 where: bonds (distance) C4'-P energy: -151.642 bonds (distance) P-C4' energy: -169.666 flat angles C4'-P-C4' energy: -171.378 flat angles P-C4'-P energy: -114.813 tors. eta vs tors. theta energy: -236.224 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: 4 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -2536.091796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2536.091796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2536.091796 (E_RNA) where: Base-Base interactions energy: -1764.868 where: short stacking energy: -739.683 Base-Backbone interact. energy: -3.626 local terms energy: -767.597615 where: bonds (distance) C4'-P energy: -134.719 bonds (distance) P-C4' energy: -147.472 flat angles C4'-P-C4' energy: -169.839 flat angles P-C4'-P energy: -119.047 tors. eta vs tors. theta energy: -196.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -2357.336255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.336255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.336255 (E_RNA) where: Base-Base interactions energy: -1614.409 where: short stacking energy: -694.850 Base-Backbone interact. energy: 0.287 local terms energy: -743.214870 where: bonds (distance) C4'-P energy: -138.149 bonds (distance) P-C4' energy: -139.703 flat angles C4'-P-C4' energy: -177.128 flat angles P-C4'-P energy: -107.389 tors. eta vs tors. theta energy: -180.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1985.396373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1985.396373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1985.396373 (E_RNA) where: Base-Base interactions energy: -1339.732 where: short stacking energy: -592.569 Base-Backbone interact. energy: -4.128 local terms energy: -641.536262 where: bonds (distance) C4'-P energy: -148.595 bonds (distance) P-C4' energy: -150.069 flat angles C4'-P-C4' energy: -149.483 flat angles P-C4'-P energy: -84.467 tors. eta vs tors. theta energy: -108.923 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: 10 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -1764.252448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.252448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.252448 (E_RNA) where: Base-Base interactions energy: -1114.069 where: short stacking energy: -497.383 Base-Backbone interact. energy: -5.467 local terms energy: -644.717231 where: bonds (distance) C4'-P energy: -143.004 bonds (distance) P-C4' energy: -171.751 flat angles C4'-P-C4' energy: -148.435 flat angles P-C4'-P energy: -79.180 tors. eta vs tors. theta energy: -102.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -1619.571310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.571310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.571310 (E_RNA) where: Base-Base interactions energy: -1041.833 where: short stacking energy: -468.587 Base-Backbone interact. energy: -2.461 local terms energy: -575.277630 where: bonds (distance) C4'-P energy: -120.331 bonds (distance) P-C4' energy: -130.681 flat angles C4'-P-C4' energy: -142.509 flat angles P-C4'-P energy: -95.901 tors. eta vs tors. theta energy: -85.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -3318.337609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3318.337609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3318.337609 (E_RNA) where: Base-Base interactions energy: -2317.521 where: short stacking energy: -978.838 Base-Backbone interact. energy: -1.669 local terms energy: -999.147207 where: bonds (distance) C4'-P energy: -192.927 bonds (distance) P-C4' energy: -180.955 flat angles C4'-P-C4' energy: -198.955 flat angles P-C4'-P energy: -132.137 tors. eta vs tors. theta energy: -294.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -3131.261408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3131.261408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3131.261408 (E_RNA) where: Base-Base interactions energy: -2181.181 where: short stacking energy: -947.341 Base-Backbone interact. energy: -0.280 local terms energy: -949.800992 where: bonds (distance) C4'-P energy: -161.793 bonds (distance) P-C4' energy: -177.346 flat angles C4'-P-C4' energy: -208.281 flat angles P-C4'-P energy: -129.439 tors. eta vs tors. theta energy: -272.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -2992.619913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2992.619913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2992.619913 (E_RNA) where: Base-Base interactions energy: -2080.144 where: short stacking energy: -893.479 Base-Backbone interact. energy: 2.087 local terms energy: -914.562589 where: bonds (distance) C4'-P energy: -167.116 bonds (distance) P-C4' energy: -159.802 flat angles C4'-P-C4' energy: -189.032 flat angles P-C4'-P energy: -146.730 tors. eta vs tors. theta energy: -251.883 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: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -2920.702965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.702965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.702965 (E_RNA) where: Base-Base interactions energy: -2033.860 where: short stacking energy: -846.036 Base-Backbone interact. energy: -1.650 local terms energy: -885.192758 where: bonds (distance) C4'-P energy: -164.644 bonds (distance) P-C4' energy: -158.067 flat angles C4'-P-C4' energy: -193.523 flat angles P-C4'-P energy: -126.401 tors. eta vs tors. theta energy: -242.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -2826.803805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2826.803805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2826.803805 (E_RNA) where: Base-Base interactions energy: -1937.270 where: short stacking energy: -846.795 Base-Backbone interact. energy: -1.801 local terms energy: -887.732162 where: bonds (distance) C4'-P energy: -169.090 bonds (distance) P-C4' energy: -156.677 flat angles C4'-P-C4' energy: -195.169 flat angles P-C4'-P energy: -120.921 tors. eta vs tors. theta energy: -245.875 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: 3 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -2455.105459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.105459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.105459 (E_RNA) where: Base-Base interactions energy: -1643.103 where: short stacking energy: -710.682 Base-Backbone interact. energy: 1.256 local terms energy: -813.258768 where: bonds (distance) C4'-P energy: -150.775 bonds (distance) P-C4' energy: -179.383 flat angles C4'-P-C4' energy: -185.033 flat angles P-C4'-P energy: -107.127 tors. eta vs tors. theta energy: -190.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -2332.053285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2332.053285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2332.053285 (E_RNA) where: Base-Base interactions energy: -1571.779 where: short stacking energy: -673.949 Base-Backbone interact. energy: -6.821 local terms energy: -753.453985 where: bonds (distance) C4'-P energy: -145.784 bonds (distance) P-C4' energy: -149.433 flat angles C4'-P-C4' energy: -168.970 flat angles P-C4'-P energy: -114.696 tors. eta vs tors. theta energy: -174.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1856.111154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.111154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.111154 (E_RNA) where: Base-Base interactions energy: -1204.869 where: short stacking energy: -512.824 Base-Backbone interact. energy: 0.160 local terms energy: -651.402917 where: bonds (distance) C4'-P energy: -152.764 bonds (distance) P-C4' energy: -150.824 flat angles C4'-P-C4' energy: -148.243 flat angles P-C4'-P energy: -93.797 tors. eta vs tors. theta energy: -105.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -1681.798219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.798219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.798219 (E_RNA) where: Base-Base interactions energy: -1073.377 where: short stacking energy: -510.557 Base-Backbone interact. energy: -4.479 local terms energy: -603.943156 where: bonds (distance) C4'-P energy: -153.153 bonds (distance) P-C4' energy: -150.694 flat angles C4'-P-C4' energy: -124.010 flat angles P-C4'-P energy: -83.389 tors. eta vs tors. theta energy: -92.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -1654.039131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.039131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.039131 (E_RNA) where: Base-Base interactions energy: -1054.375 where: short stacking energy: -476.192 Base-Backbone interact. energy: -0.032 local terms energy: -599.631420 where: bonds (distance) C4'-P energy: -142.497 bonds (distance) P-C4' energy: -141.672 flat angles C4'-P-C4' energy: -149.395 flat angles P-C4'-P energy: -81.926 tors. eta vs tors. theta energy: -84.142 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: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -3329.055074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3329.055074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3329.055074 (E_RNA) where: Base-Base interactions energy: -2328.852 where: short stacking energy: -995.408 Base-Backbone interact. energy: -2.267 local terms energy: -997.935422 where: bonds (distance) C4'-P energy: -169.906 bonds (distance) P-C4' energy: -194.339 flat angles C4'-P-C4' energy: -215.834 flat angles P-C4'-P energy: -136.772 tors. eta vs tors. theta energy: -281.084 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: 2, replica: 1 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -3159.298204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3159.298204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3159.298204 (E_RNA) where: Base-Base interactions energy: -2198.939 where: short stacking energy: -956.746 Base-Backbone interact. energy: -2.160 local terms energy: -958.199642 where: bonds (distance) C4'-P energy: -170.027 bonds (distance) P-C4' energy: -176.672 flat angles C4'-P-C4' energy: -192.732 flat angles P-C4'-P energy: -142.363 tors. eta vs tors. theta energy: -276.406 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: 6 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -2979.879633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.879633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.879633 (E_RNA) where: Base-Base interactions energy: -2056.270 where: short stacking energy: -862.972 Base-Backbone interact. energy: -3.864 local terms energy: -919.746112 where: bonds (distance) C4'-P energy: -164.846 bonds (distance) P-C4' energy: -182.089 flat angles C4'-P-C4' energy: -198.386 flat angles P-C4'-P energy: -133.312 tors. eta vs tors. theta energy: -241.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -2903.324378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.324378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.324378 (E_RNA) where: Base-Base interactions energy: -2035.921 where: short stacking energy: -831.724 Base-Backbone interact. energy: 0.867 local terms energy: -868.270316 where: bonds (distance) C4'-P energy: -172.952 bonds (distance) P-C4' energy: -165.078 flat angles C4'-P-C4' energy: -165.957 flat angles P-C4'-P energy: -115.938 tors. eta vs tors. theta energy: -248.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -2772.105341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.105341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.105341 (E_RNA) where: Base-Base interactions energy: -1919.855 where: short stacking energy: -798.946 Base-Backbone interact. energy: -0.916 local terms energy: -851.334475 where: bonds (distance) C4'-P energy: -159.176 bonds (distance) P-C4' energy: -167.428 flat angles C4'-P-C4' energy: -175.908 flat angles P-C4'-P energy: -134.301 tors. eta vs tors. theta energy: -214.522 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: 6, replica: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -2470.507034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.507034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.507034 (E_RNA) where: Base-Base interactions energy: -1664.396 where: short stacking energy: -744.233 Base-Backbone interact. energy: -5.168 local terms energy: -800.942639 where: bonds (distance) C4'-P energy: -160.249 bonds (distance) P-C4' energy: -166.437 flat angles C4'-P-C4' energy: -169.405 flat angles P-C4'-P energy: -108.985 tors. eta vs tors. theta energy: -195.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -2337.313377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2337.313377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2337.313377 (E_RNA) where: Base-Base interactions energy: -1565.614 where: short stacking energy: -685.435 Base-Backbone interact. energy: 3.559 local terms energy: -775.258512 where: bonds (distance) C4'-P energy: -144.578 bonds (distance) P-C4' energy: -181.152 flat angles C4'-P-C4' energy: -166.546 flat angles P-C4'-P energy: -96.253 tors. eta vs tors. theta energy: -186.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -2038.852120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.852120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.852120 (E_RNA) where: Base-Base interactions energy: -1352.337 where: short stacking energy: -589.408 Base-Backbone interact. energy: 0.510 local terms energy: -687.025778 where: bonds (distance) C4'-P energy: -142.810 bonds (distance) P-C4' energy: -152.293 flat angles C4'-P-C4' energy: -158.345 flat angles P-C4'-P energy: -101.607 tors. eta vs tors. theta energy: -131.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -1761.993544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.993544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.993544 (E_RNA) where: Base-Base interactions energy: -1111.434 where: short stacking energy: -513.139 Base-Backbone interact. energy: -1.204 local terms energy: -649.354794 where: bonds (distance) C4'-P energy: -161.011 bonds (distance) P-C4' energy: -155.090 flat angles C4'-P-C4' energy: -156.398 flat angles P-C4'-P energy: -72.867 tors. eta vs tors. theta energy: -103.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -1553.555589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.555589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.555589 (E_RNA) where: Base-Base interactions energy: -1005.357 where: short stacking energy: -480.069 Base-Backbone interact. energy: 3.392 local terms energy: -551.590127 where: bonds (distance) C4'-P energy: -128.551 bonds (distance) P-C4' energy: -143.753 flat angles C4'-P-C4' energy: -118.460 flat angles P-C4'-P energy: -72.477 tors. eta vs tors. theta energy: -88.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -3321.603795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3321.603795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3321.603795 (E_RNA) where: Base-Base interactions energy: -2351.395 where: short stacking energy: -975.850 Base-Backbone interact. energy: -4.622 local terms energy: -965.586934 where: bonds (distance) C4'-P energy: -176.762 bonds (distance) P-C4' energy: -172.648 flat angles C4'-P-C4' energy: -198.694 flat angles P-C4'-P energy: -129.390 tors. eta vs tors. theta energy: -288.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -3158.235933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.235933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.235933 (E_RNA) where: Base-Base interactions energy: -2198.450 where: short stacking energy: -929.517 Base-Backbone interact. energy: -2.204 local terms energy: -957.582053 where: bonds (distance) C4'-P energy: -181.908 bonds (distance) P-C4' energy: -162.761 flat angles C4'-P-C4' energy: -205.371 flat angles P-C4'-P energy: -130.353 tors. eta vs tors. theta energy: -277.189 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: 6 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -3017.353270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.353270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.353270 (E_RNA) where: Base-Base interactions energy: -2119.809 where: short stacking energy: -896.442 Base-Backbone interact. energy: -3.557 local terms energy: -893.987429 where: bonds (distance) C4'-P energy: -158.480 bonds (distance) P-C4' energy: -172.821 flat angles C4'-P-C4' energy: -197.748 flat angles P-C4'-P energy: -125.774 tors. eta vs tors. theta energy: -239.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -2911.614468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.614468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.614468 (E_RNA) where: Base-Base interactions energy: -2033.832 where: short stacking energy: -866.400 Base-Backbone interact. energy: -8.360 local terms energy: -869.422569 where: bonds (distance) C4'-P energy: -152.269 bonds (distance) P-C4' energy: -162.215 flat angles C4'-P-C4' energy: -192.677 flat angles P-C4'-P energy: -117.595 tors. eta vs tors. theta energy: -244.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -2806.285607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.285607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.285607 (E_RNA) where: Base-Base interactions energy: -1935.218 where: short stacking energy: -779.577 Base-Backbone interact. energy: 1.008 local terms energy: -872.075113 where: bonds (distance) C4'-P energy: -163.654 bonds (distance) P-C4' energy: -179.082 flat angles C4'-P-C4' energy: -185.358 flat angles P-C4'-P energy: -128.304 tors. eta vs tors. theta energy: -215.677 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: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -2520.115504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2520.115504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2520.115504 (E_RNA) where: Base-Base interactions energy: -1714.159 where: short stacking energy: -756.730 Base-Backbone interact. energy: 0.729 local terms energy: -806.685373 where: bonds (distance) C4'-P energy: -145.420 bonds (distance) P-C4' energy: -152.267 flat angles C4'-P-C4' energy: -183.179 flat angles P-C4'-P energy: -107.738 tors. eta vs tors. theta energy: -218.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -2306.945035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2306.945035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2306.945035 (E_RNA) where: Base-Base interactions energy: -1523.460 where: short stacking energy: -643.695 Base-Backbone interact. energy: -0.464 local terms energy: -783.020738 where: bonds (distance) C4'-P energy: -170.456 bonds (distance) P-C4' energy: -174.788 flat angles C4'-P-C4' energy: -170.453 flat angles P-C4'-P energy: -96.860 tors. eta vs tors. theta energy: -170.464 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: 9 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1971.151168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1971.151168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1971.151168 (E_RNA) where: Base-Base interactions energy: -1312.584 where: short stacking energy: -581.913 Base-Backbone interact. energy: 0.667 local terms energy: -659.233979 where: bonds (distance) C4'-P energy: -142.927 bonds (distance) P-C4' energy: -146.360 flat angles C4'-P-C4' energy: -150.658 flat angles P-C4'-P energy: -97.232 tors. eta vs tors. theta energy: -122.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -1737.702676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.702676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.702676 (E_RNA) where: Base-Base interactions energy: -1143.755 where: short stacking energy: -485.069 Base-Backbone interact. energy: 3.504 local terms energy: -597.451503 where: bonds (distance) C4'-P energy: -136.467 bonds (distance) P-C4' energy: -142.913 flat angles C4'-P-C4' energy: -156.395 flat angles P-C4'-P energy: -76.163 tors. eta vs tors. theta energy: -85.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -1420.713801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.713801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.713801 (E_RNA) where: Base-Base interactions energy: -886.277 where: short stacking energy: -388.009 Base-Backbone interact. energy: -1.782 local terms energy: -532.654158 where: bonds (distance) C4'-P energy: -146.251 bonds (distance) P-C4' energy: -168.959 flat angles C4'-P-C4' energy: -128.013 flat angles P-C4'-P energy: -56.205 tors. eta vs tors. theta energy: -33.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -3279.499100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.499100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.499100 (E_RNA) where: Base-Base interactions energy: -2291.260 where: short stacking energy: -947.668 Base-Backbone interact. energy: -1.264 local terms energy: -986.975536 where: bonds (distance) C4'-P energy: -172.639 bonds (distance) P-C4' energy: -183.319 flat angles C4'-P-C4' energy: -200.920 flat angles P-C4'-P energy: -145.741 tors. eta vs tors. theta energy: -284.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -3128.651242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3128.651242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3128.651242 (E_RNA) where: Base-Base interactions energy: -2166.461 where: short stacking energy: -955.356 Base-Backbone interact. energy: -4.473 local terms energy: -957.716557 where: bonds (distance) C4'-P energy: -189.491 bonds (distance) P-C4' energy: -158.063 flat angles C4'-P-C4' energy: -207.064 flat angles P-C4'-P energy: -142.976 tors. eta vs tors. theta energy: -260.122 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: 3, replica: 6 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -3006.143440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.143440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.143440 (E_RNA) where: Base-Base interactions energy: -2118.096 where: short stacking energy: -875.516 Base-Backbone interact. energy: -4.013 local terms energy: -884.034455 where: bonds (distance) C4'-P energy: -144.281 bonds (distance) P-C4' energy: -160.795 flat angles C4'-P-C4' energy: -187.418 flat angles P-C4'-P energy: -139.671 tors. eta vs tors. theta energy: -251.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -2913.533580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.533580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.533580 (E_RNA) where: Base-Base interactions energy: -2027.645 where: short stacking energy: -852.633 Base-Backbone interact. energy: -0.767 local terms energy: -885.121132 where: bonds (distance) C4'-P energy: -165.242 bonds (distance) P-C4' energy: -167.413 flat angles C4'-P-C4' energy: -193.027 flat angles P-C4'-P energy: -120.054 tors. eta vs tors. theta energy: -239.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -2742.124020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.124020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.124020 (E_RNA) where: Base-Base interactions energy: -1889.086 where: short stacking energy: -793.427 Base-Backbone interact. energy: 1.922 local terms energy: -854.960378 where: bonds (distance) C4'-P energy: -159.200 bonds (distance) P-C4' energy: -182.714 flat angles C4'-P-C4' energy: -191.955 flat angles P-C4'-P energy: -101.178 tors. eta vs tors. theta energy: -219.913 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: 3 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -2512.012607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2512.012607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2512.012607 (E_RNA) where: Base-Base interactions energy: -1720.668 where: short stacking energy: -787.977 Base-Backbone interact. energy: 0.797 local terms energy: -792.141755 where: bonds (distance) C4'-P energy: -152.954 bonds (distance) P-C4' energy: -137.140 flat angles C4'-P-C4' energy: -173.260 flat angles P-C4'-P energy: -118.637 tors. eta vs tors. theta energy: -210.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -2336.953851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.953851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.953851 (E_RNA) where: Base-Base interactions energy: -1597.558 where: short stacking energy: -682.683 Base-Backbone interact. energy: 0.748 local terms energy: -740.143484 where: bonds (distance) C4'-P energy: -123.772 bonds (distance) P-C4' energy: -171.407 flat angles C4'-P-C4' energy: -169.040 flat angles P-C4'-P energy: -92.690 tors. eta vs tors. theta energy: -183.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1953.527096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1953.527096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1953.527096 (E_RNA) where: Base-Base interactions energy: -1311.440 where: short stacking energy: -552.331 Base-Backbone interact. energy: -2.718 local terms energy: -639.369137 where: bonds (distance) C4'-P energy: -130.748 bonds (distance) P-C4' energy: -148.853 flat angles C4'-P-C4' energy: -148.196 flat angles P-C4'-P energy: -93.003 tors. eta vs tors. theta energy: -118.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -1723.518036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.518036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.518036 (E_RNA) where: Base-Base interactions energy: -1132.534 where: short stacking energy: -511.949 Base-Backbone interact. energy: 3.292 local terms energy: -594.275743 where: bonds (distance) C4'-P energy: -155.306 bonds (distance) P-C4' energy: -149.557 flat angles C4'-P-C4' energy: -144.201 flat angles P-C4'-P energy: -68.954 tors. eta vs tors. theta energy: -76.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -1375.526880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.526880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.526880 (E_RNA) where: Base-Base interactions energy: -846.219 where: short stacking energy: -380.827 Base-Backbone interact. energy: 1.553 local terms energy: -530.860478 where: bonds (distance) C4'-P energy: -129.927 bonds (distance) P-C4' energy: -151.156 flat angles C4'-P-C4' energy: -123.890 flat angles P-C4'-P energy: -92.108 tors. eta vs tors. theta energy: -33.780 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: 2 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -3271.188648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3271.188648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3271.188648 (E_RNA) where: Base-Base interactions energy: -2265.436 where: short stacking energy: -962.406 Base-Backbone interact. energy: -4.983 local terms energy: -1000.769709 where: bonds (distance) C4'-P energy: -181.915 bonds (distance) P-C4' energy: -174.275 flat angles C4'-P-C4' energy: -217.297 flat angles P-C4'-P energy: -139.837 tors. eta vs tors. theta energy: -287.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -3119.292746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3119.292746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3119.292746 (E_RNA) where: Base-Base interactions energy: -2190.223 where: short stacking energy: -920.152 Base-Backbone interact. energy: -4.658 local terms energy: -924.411355 where: bonds (distance) C4'-P energy: -179.475 bonds (distance) P-C4' energy: -166.077 flat angles C4'-P-C4' energy: -193.488 flat angles P-C4'-P energy: -128.592 tors. eta vs tors. theta energy: -256.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -3022.664423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.664423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.664423 (E_RNA) where: Base-Base interactions energy: -2093.311 where: short stacking energy: -892.885 Base-Backbone interact. energy: -4.789 local terms energy: -924.564320 where: bonds (distance) C4'-P energy: -167.942 bonds (distance) P-C4' energy: -164.759 flat angles C4'-P-C4' energy: -203.039 flat angles P-C4'-P energy: -139.854 tors. eta vs tors. theta energy: -248.971 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: 8 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -2920.187703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2920.187703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2920.187703 (E_RNA) where: Base-Base interactions energy: -2056.640 where: short stacking energy: -856.604 Base-Backbone interact. energy: -3.884 local terms energy: -859.664056 where: bonds (distance) C4'-P energy: -139.687 bonds (distance) P-C4' energy: -167.415 flat angles C4'-P-C4' energy: -202.378 flat angles P-C4'-P energy: -104.131 tors. eta vs tors. theta energy: -246.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -2731.142575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.142575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.142575 (E_RNA) where: Base-Base interactions energy: -1894.866 where: short stacking energy: -826.271 Base-Backbone interact. energy: -3.664 local terms energy: -832.611784 where: bonds (distance) C4'-P energy: -134.209 bonds (distance) P-C4' energy: -162.128 flat angles C4'-P-C4' energy: -202.576 flat angles P-C4'-P energy: -102.862 tors. eta vs tors. theta energy: -230.837 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: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -2552.603302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2552.603302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2552.603302 (E_RNA) where: Base-Base interactions energy: -1760.543 where: short stacking energy: -764.153 Base-Backbone interact. energy: -1.935 local terms energy: -790.125816 where: bonds (distance) C4'-P energy: -134.796 bonds (distance) P-C4' energy: -147.526 flat angles C4'-P-C4' energy: -177.444 flat angles P-C4'-P energy: -123.555 tors. eta vs tors. theta energy: -206.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -2336.293225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2336.293225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2336.293225 (E_RNA) where: Base-Base interactions energy: -1574.208 where: short stacking energy: -697.076 Base-Backbone interact. energy: -4.355 local terms energy: -757.729580 where: bonds (distance) C4'-P energy: -137.482 bonds (distance) P-C4' energy: -153.885 flat angles C4'-P-C4' energy: -177.982 flat angles P-C4'-P energy: -100.527 tors. eta vs tors. theta energy: -187.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1996.440485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1996.440485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1996.440485 (E_RNA) where: Base-Base interactions energy: -1332.682 where: short stacking energy: -561.768 Base-Backbone interact. energy: 2.734 local terms energy: -666.492328 where: bonds (distance) C4'-P energy: -152.284 bonds (distance) P-C4' energy: -143.938 flat angles C4'-P-C4' energy: -144.974 flat angles P-C4'-P energy: -102.879 tors. eta vs tors. theta energy: -122.418 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: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -1688.402312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.402312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.402312 (E_RNA) where: Base-Base interactions energy: -1053.124 where: short stacking energy: -502.219 Base-Backbone interact. energy: -2.957 local terms energy: -632.320402 where: bonds (distance) C4'-P energy: -133.678 bonds (distance) P-C4' energy: -149.741 flat angles C4'-P-C4' energy: -156.799 flat angles P-C4'-P energy: -91.141 tors. eta vs tors. theta energy: -100.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -1399.216391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.216391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.216391 (E_RNA) where: Base-Base interactions energy: -875.215 where: short stacking energy: -414.998 Base-Backbone interact. energy: -2.967 local terms energy: -521.034707 where: bonds (distance) C4'-P energy: -117.000 bonds (distance) P-C4' energy: -151.499 flat angles C4'-P-C4' energy: -117.391 flat angles P-C4'-P energy: -83.037 tors. eta vs tors. theta energy: -52.108 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: 2 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -3297.973906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3297.973906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3297.973906 (E_RNA) where: Base-Base interactions energy: -2318.163 where: short stacking energy: -990.196 Base-Backbone interact. energy: -2.575 local terms energy: -977.236829 where: bonds (distance) C4'-P energy: -163.033 bonds (distance) P-C4' energy: -179.615 flat angles C4'-P-C4' energy: -216.869 flat angles P-C4'-P energy: -125.648 tors. eta vs tors. theta energy: -292.072 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: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -3132.167891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3132.167891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3132.167891 (E_RNA) where: Base-Base interactions energy: -2173.567 where: short stacking energy: -921.123 Base-Backbone interact. energy: -2.899 local terms energy: -955.701777 where: bonds (distance) C4'-P energy: -172.022 bonds (distance) P-C4' energy: -180.210 flat angles C4'-P-C4' energy: -211.208 flat angles P-C4'-P energy: -128.390 tors. eta vs tors. theta energy: -263.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -3059.654947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.654947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.654947 (E_RNA) where: Base-Base interactions energy: -2134.656 where: short stacking energy: -949.145 Base-Backbone interact. energy: -3.084 local terms energy: -921.914560 where: bonds (distance) C4'-P energy: -157.931 bonds (distance) P-C4' energy: -170.880 flat angles C4'-P-C4' energy: -195.112 flat angles P-C4'-P energy: -130.368 tors. eta vs tors. theta energy: -267.624 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: 8 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -2896.647163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.647163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.647163 (E_RNA) where: Base-Base interactions energy: -2023.844 where: short stacking energy: -841.090 Base-Backbone interact. energy: -6.712 local terms energy: -866.091125 where: bonds (distance) C4'-P energy: -154.219 bonds (distance) P-C4' energy: -152.381 flat angles C4'-P-C4' energy: -192.185 flat angles P-C4'-P energy: -117.756 tors. eta vs tors. theta energy: -249.551 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: 3 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -2623.375218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2623.375218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2623.375218 (E_RNA) where: Base-Base interactions energy: -1774.813 where: short stacking energy: -773.683 Base-Backbone interact. energy: -0.347 local terms energy: -848.215807 where: bonds (distance) C4'-P energy: -156.865 bonds (distance) P-C4' energy: -171.484 flat angles C4'-P-C4' energy: -192.418 flat angles P-C4'-P energy: -110.463 tors. eta vs tors. theta energy: -216.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -2625.772347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.772347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.772347 (E_RNA) where: Base-Base interactions energy: -1823.442 where: short stacking energy: -773.841 Base-Backbone interact. energy: -1.303 local terms energy: -801.027106 where: bonds (distance) C4'-P energy: -131.340 bonds (distance) P-C4' energy: -166.424 flat angles C4'-P-C4' energy: -170.982 flat angles P-C4'-P energy: -111.903 tors. eta vs tors. theta energy: -220.378 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: 370 Temperature: 1.200000 Total energy: -2379.525937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.525937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.525937 (E_RNA) where: Base-Base interactions energy: -1631.186 where: short stacking energy: -722.334 Base-Backbone interact. energy: 1.431 local terms energy: -749.771480 where: bonds (distance) C4'-P energy: -143.528 bonds (distance) P-C4' energy: -143.160 flat angles C4'-P-C4' energy: -169.218 flat angles P-C4'-P energy: -100.243 tors. eta vs tors. theta energy: -193.622 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: 9 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -2069.397021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2069.397021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2069.397021 (E_RNA) where: Base-Base interactions energy: -1389.256 where: short stacking energy: -599.676 Base-Backbone interact. energy: 3.517 local terms energy: -683.657773 where: bonds (distance) C4'-P energy: -153.693 bonds (distance) P-C4' energy: -140.201 flat angles C4'-P-C4' energy: -155.364 flat angles P-C4'-P energy: -91.286 tors. eta vs tors. theta energy: -143.114 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: 5 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -1753.230165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.230165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.230165 (E_RNA) where: Base-Base interactions energy: -1134.729 where: short stacking energy: -528.424 Base-Backbone interact. energy: 1.157 local terms energy: -619.658412 where: bonds (distance) C4'-P energy: -149.142 bonds (distance) P-C4' energy: -150.574 flat angles C4'-P-C4' energy: -142.144 flat angles P-C4'-P energy: -77.297 tors. eta vs tors. theta energy: -100.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -1439.137001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.137001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.137001 (E_RNA) where: Base-Base interactions energy: -899.098 where: short stacking energy: -418.396 Base-Backbone interact. energy: 3.242 local terms energy: -543.281514 where: bonds (distance) C4'-P energy: -143.932 bonds (distance) P-C4' energy: -149.526 flat angles C4'-P-C4' energy: -145.277 flat angles P-C4'-P energy: -64.588 tors. eta vs tors. theta energy: -39.959 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: 2 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -3286.271652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3286.271652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3286.271652 (E_RNA) where: Base-Base interactions energy: -2280.610 where: short stacking energy: -972.509 Base-Backbone interact. energy: -2.671 local terms energy: -1002.990786 where: bonds (distance) C4'-P energy: -172.626 bonds (distance) P-C4' energy: -186.454 flat angles C4'-P-C4' energy: -206.201 flat angles P-C4'-P energy: -152.483 tors. eta vs tors. theta energy: -285.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -3140.658693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3140.658693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3140.658693 (E_RNA) where: Base-Base interactions energy: -2199.606 where: short stacking energy: -950.938 Base-Backbone interact. energy: -2.175 local terms energy: -938.878345 where: bonds (distance) C4'-P energy: -188.246 bonds (distance) P-C4' energy: -166.616 flat angles C4'-P-C4' energy: -197.622 flat angles P-C4'-P energy: -123.073 tors. eta vs tors. theta energy: -263.322 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: 6 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -3086.197946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3086.197946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3086.197946 (E_RNA) where: Base-Base interactions energy: -2183.916 where: short stacking energy: -951.614 Base-Backbone interact. energy: -3.118 local terms energy: -899.163866 where: bonds (distance) C4'-P energy: -165.121 bonds (distance) P-C4' energy: -142.973 flat angles C4'-P-C4' energy: -193.117 flat angles P-C4'-P energy: -132.198 tors. eta vs tors. theta energy: -265.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -2922.882297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.882297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.882297 (E_RNA) where: Base-Base interactions energy: -2046.205 where: short stacking energy: -861.250 Base-Backbone interact. energy: -0.468 local terms energy: -876.208850 where: bonds (distance) C4'-P energy: -150.007 bonds (distance) P-C4' energy: -171.515 flat angles C4'-P-C4' energy: -193.717 flat angles P-C4'-P energy: -112.793 tors. eta vs tors. theta energy: -248.177 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: 3 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -2688.144050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.144050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.144050 (E_RNA) where: Base-Base interactions energy: -1847.374 where: short stacking energy: -852.436 Base-Backbone interact. energy: 0.086 local terms energy: -840.856411 where: bonds (distance) C4'-P energy: -156.583 bonds (distance) P-C4' energy: -126.933 flat angles C4'-P-C4' energy: -196.097 flat angles P-C4'-P energy: -109.823 tors. eta vs tors. theta energy: -251.420 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: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -2655.236632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2655.236632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2655.236632 (E_RNA) where: Base-Base interactions energy: -1863.803 where: short stacking energy: -782.850 Base-Backbone interact. energy: -2.975 local terms energy: -788.458559 where: bonds (distance) C4'-P energy: -143.895 bonds (distance) P-C4' energy: -147.855 flat angles C4'-P-C4' energy: -172.245 flat angles P-C4'-P energy: -99.780 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: 7, replica: 4 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -2348.741465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2348.741465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2348.741465 (E_RNA) where: Base-Base interactions energy: -1563.784 where: short stacking energy: -676.332 Base-Backbone interact. energy: -2.796 local terms energy: -782.160803 where: bonds (distance) C4'-P energy: -164.212 bonds (distance) P-C4' energy: -170.975 flat angles C4'-P-C4' energy: -173.438 flat angles P-C4'-P energy: -97.359 tors. eta vs tors. theta energy: -176.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1979.646516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1979.646516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1979.646516 (E_RNA) where: Base-Base interactions energy: -1317.130 where: short stacking energy: -554.986 Base-Backbone interact. energy: -1.868 local terms energy: -660.649367 where: bonds (distance) C4'-P energy: -131.182 bonds (distance) P-C4' energy: -156.327 flat angles C4'-P-C4' energy: -163.112 flat angles P-C4'-P energy: -103.645 tors. eta vs tors. theta energy: -106.383 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: 9, replica: 5 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -1745.195591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.195591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.195591 (E_RNA) where: Base-Base interactions energy: -1154.144 where: short stacking energy: -515.973 Base-Backbone interact. energy: -4.166 local terms energy: -586.884761 where: bonds (distance) C4'-P energy: -123.288 bonds (distance) P-C4' energy: -142.090 flat angles C4'-P-C4' energy: -150.062 flat angles P-C4'-P energy: -94.609 tors. eta vs tors. theta energy: -76.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -1395.276366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.276366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.276366 (E_RNA) where: Base-Base interactions energy: -876.089 where: short stacking energy: -434.156 Base-Backbone interact. energy: 0.778 local terms energy: -519.965740 where: bonds (distance) C4'-P energy: -138.618 bonds (distance) P-C4' energy: -143.580 flat angles C4'-P-C4' energy: -145.796 flat angles P-C4'-P energy: -61.110 tors. eta vs tors. theta energy: -30.862 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: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -3282.973306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3282.973306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3282.973306 (E_RNA) where: Base-Base interactions energy: -2300.688 where: short stacking energy: -968.828 Base-Backbone interact. energy: -3.556 local terms energy: -978.729794 where: bonds (distance) C4'-P energy: -169.817 bonds (distance) P-C4' energy: -186.824 flat angles C4'-P-C4' energy: -200.058 flat angles P-C4'-P energy: -141.537 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: 372 Temperature: 0.950000 Total energy: -3144.939043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3144.939043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3144.939043 (E_RNA) where: Base-Base interactions energy: -2198.252 where: short stacking energy: -961.242 Base-Backbone interact. energy: -2.376 local terms energy: -944.311078 where: bonds (distance) C4'-P energy: -178.292 bonds (distance) P-C4' energy: -167.876 flat angles C4'-P-C4' energy: -200.861 flat angles P-C4'-P energy: -116.812 tors. eta vs tors. theta energy: -280.470 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: 6 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -3089.865585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.865585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.865585 (E_RNA) where: Base-Base interactions energy: -2149.661 where: short stacking energy: -894.323 Base-Backbone interact. energy: -4.073 local terms energy: -936.131704 where: bonds (distance) C4'-P energy: -178.393 bonds (distance) P-C4' energy: -179.209 flat angles C4'-P-C4' energy: -192.569 flat angles P-C4'-P energy: -134.397 tors. eta vs tors. theta energy: -251.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -2948.852425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2948.852425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2948.852425 (E_RNA) where: Base-Base interactions energy: -2081.749 where: short stacking energy: -844.779 Base-Backbone interact. energy: -4.700 local terms energy: -862.403689 where: bonds (distance) C4'-P energy: -169.940 bonds (distance) P-C4' energy: -148.499 flat angles C4'-P-C4' energy: -180.772 flat angles P-C4'-P energy: -115.405 tors. eta vs tors. theta energy: -247.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -2705.896163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.896163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.896163 (E_RNA) where: Base-Base interactions energy: -1843.906 where: short stacking energy: -791.823 Base-Backbone interact. energy: -6.444 local terms energy: -855.545934 where: bonds (distance) C4'-P energy: -154.366 bonds (distance) P-C4' energy: -154.525 flat angles C4'-P-C4' energy: -185.700 flat angles P-C4'-P energy: -125.192 tors. eta vs tors. theta energy: -235.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -2688.237922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2688.237922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2688.237922 (E_RNA) where: Base-Base interactions energy: -1879.620 where: short stacking energy: -798.218 Base-Backbone interact. energy: 1.254 local terms energy: -809.871636 where: bonds (distance) C4'-P energy: -148.167 bonds (distance) P-C4' energy: -160.823 flat angles C4'-P-C4' energy: -163.268 flat angles P-C4'-P energy: -120.000 tors. eta vs tors. theta energy: -217.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -2362.954102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2362.954102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2362.954102 (E_RNA) where: Base-Base interactions energy: -1598.005 where: short stacking energy: -673.047 Base-Backbone interact. energy: -0.736 local terms energy: -764.213238 where: bonds (distance) C4'-P energy: -146.608 bonds (distance) P-C4' energy: -140.286 flat angles C4'-P-C4' energy: -180.931 flat angles P-C4'-P energy: -112.421 tors. eta vs tors. theta energy: -183.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1968.986596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1968.986596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1968.986596 (E_RNA) where: Base-Base interactions energy: -1262.550 where: short stacking energy: -546.768 Base-Backbone interact. energy: -6.327 local terms energy: -700.109288 where: bonds (distance) C4'-P energy: -135.548 bonds (distance) P-C4' energy: -147.841 flat angles C4'-P-C4' energy: -167.798 flat angles P-C4'-P energy: -117.861 tors. eta vs tors. theta energy: -131.061 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: 5 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -1781.169602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.169602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.169602 (E_RNA) where: Base-Base interactions energy: -1157.828 where: short stacking energy: -566.205 Base-Backbone interact. energy: -1.022 local terms energy: -622.319805 where: bonds (distance) C4'-P energy: -148.355 bonds (distance) P-C4' energy: -145.649 flat angles C4'-P-C4' energy: -136.807 flat angles P-C4'-P energy: -81.839 tors. eta vs tors. theta energy: -109.670 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: 10, replica: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -1324.749369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.749369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.749369 (E_RNA) where: Base-Base interactions energy: -812.104 where: short stacking energy: -356.941 Base-Backbone interact. energy: -2.596 local terms energy: -510.049567 where: bonds (distance) C4'-P energy: -124.806 bonds (distance) P-C4' energy: -150.112 flat angles C4'-P-C4' energy: -119.332 flat angles P-C4'-P energy: -85.998 tors. eta vs tors. theta energy: -29.801 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: 2 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -3299.927275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3299.927275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3299.927275 (E_RNA) where: Base-Base interactions energy: -2293.165 where: short stacking energy: -998.795 Base-Backbone interact. energy: 0.573 local terms energy: -1007.334985 where: bonds (distance) C4'-P energy: -193.019 bonds (distance) P-C4' energy: -176.944 flat angles C4'-P-C4' energy: -208.768 flat angles P-C4'-P energy: -145.267 tors. eta vs tors. theta energy: -283.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -3134.168790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3134.168790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3134.168790 (E_RNA) where: Base-Base interactions energy: -2170.107 where: short stacking energy: -938.004 Base-Backbone interact. energy: -5.909 local terms energy: -958.153485 where: bonds (distance) C4'-P energy: -169.553 bonds (distance) P-C4' energy: -194.534 flat angles C4'-P-C4' energy: -200.758 flat angles P-C4'-P energy: -116.823 tors. eta vs tors. theta energy: -276.485 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: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -3069.424860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3069.424860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3069.424860 (E_RNA) where: Base-Base interactions energy: -2158.553 where: short stacking energy: -900.544 Base-Backbone interact. energy: -0.541 local terms energy: -910.331168 where: bonds (distance) C4'-P energy: -172.919 bonds (distance) P-C4' energy: -162.407 flat angles C4'-P-C4' energy: -181.165 flat angles P-C4'-P energy: -141.031 tors. eta vs tors. theta energy: -252.809 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: 4, replica: 8 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -2927.864928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.864928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.864928 (E_RNA) where: Base-Base interactions energy: -2028.095 where: short stacking energy: -824.870 Base-Backbone interact. energy: -2.984 local terms energy: -896.785497 where: bonds (distance) C4'-P energy: -177.014 bonds (distance) P-C4' energy: -166.849 flat angles C4'-P-C4' energy: -199.408 flat angles P-C4'-P energy: -128.155 tors. eta vs tors. theta energy: -225.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -2682.893440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2682.893440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2682.893440 (E_RNA) where: Base-Base interactions energy: -1866.414 where: short stacking energy: -803.244 Base-Backbone interact. energy: -1.335 local terms energy: -815.145000 where: bonds (distance) C4'-P energy: -131.942 bonds (distance) P-C4' energy: -158.220 flat angles C4'-P-C4' energy: -176.814 flat angles P-C4'-P energy: -121.134 tors. eta vs tors. theta energy: -227.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -2593.100841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.100841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.100841 (E_RNA) where: Base-Base interactions energy: -1822.517 where: short stacking energy: -769.666 Base-Backbone interact. energy: 1.283 local terms energy: -771.867132 where: bonds (distance) C4'-P energy: -148.795 bonds (distance) P-C4' energy: -148.199 flat angles C4'-P-C4' energy: -149.563 flat angles P-C4'-P energy: -111.554 tors. eta vs tors. theta energy: -213.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -2325.677645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2325.677645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2325.677645 (E_RNA) where: Base-Base interactions energy: -1609.665 where: short stacking energy: -671.597 Base-Backbone interact. energy: 2.669 local terms energy: -718.682099 where: bonds (distance) C4'-P energy: -128.971 bonds (distance) P-C4' energy: -158.753 flat angles C4'-P-C4' energy: -158.987 flat angles P-C4'-P energy: -106.509 tors. eta vs tors. theta energy: -165.462 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: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1986.194054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1986.194054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1986.194054 (E_RNA) where: Base-Base interactions energy: -1330.698 where: short stacking energy: -559.512 Base-Backbone interact. energy: -1.997 local terms energy: -653.498799 where: bonds (distance) C4'-P energy: -128.891 bonds (distance) P-C4' energy: -150.385 flat angles C4'-P-C4' energy: -155.520 flat angles P-C4'-P energy: -92.268 tors. eta vs tors. theta energy: -126.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -1792.613427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.613427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.613427 (E_RNA) where: Base-Base interactions energy: -1171.997 where: short stacking energy: -560.771 Base-Backbone interact. energy: -1.340 local terms energy: -619.276621 where: bonds (distance) C4'-P energy: -135.293 bonds (distance) P-C4' energy: -128.697 flat angles C4'-P-C4' energy: -143.473 flat angles P-C4'-P energy: -101.642 tors. eta vs tors. theta energy: -110.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -1292.937735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.937735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.937735 (E_RNA) where: Base-Base interactions energy: -763.266 where: short stacking energy: -369.630 Base-Backbone interact. energy: 3.573 local terms energy: -533.244817 where: bonds (distance) C4'-P energy: -135.171 bonds (distance) P-C4' energy: -138.875 flat angles C4'-P-C4' energy: -134.522 flat angles P-C4'-P energy: -85.810 tors. eta vs tors. theta energy: -38.867 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: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -3276.992949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3276.992949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3276.992949 (E_RNA) where: Base-Base interactions energy: -2273.521 where: short stacking energy: -956.865 Base-Backbone interact. energy: -2.626 local terms energy: -1000.846399 where: bonds (distance) C4'-P energy: -196.028 bonds (distance) P-C4' energy: -190.378 flat angles C4'-P-C4' energy: -202.090 flat angles P-C4'-P energy: -136.216 tors. eta vs tors. theta energy: -276.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -3146.207223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.207223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.207223 (E_RNA) where: Base-Base interactions energy: -2178.981 where: short stacking energy: -922.967 Base-Backbone interact. energy: -1.478 local terms energy: -965.748343 where: bonds (distance) C4'-P energy: -170.210 bonds (distance) P-C4' energy: -183.673 flat angles C4'-P-C4' energy: -193.359 flat angles P-C4'-P energy: -140.971 tors. eta vs tors. theta energy: -277.536 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: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -3050.952052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.952052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.952052 (E_RNA) where: Base-Base interactions energy: -2119.018 where: short stacking energy: -889.914 Base-Backbone interact. energy: -5.169 local terms energy: -926.765417 where: bonds (distance) C4'-P energy: -169.826 bonds (distance) P-C4' energy: -175.809 flat angles C4'-P-C4' energy: -194.535 flat angles P-C4'-P energy: -135.630 tors. eta vs tors. theta energy: -250.965 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: 8 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -2904.465442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2904.465442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2904.465442 (E_RNA) where: Base-Base interactions energy: -2017.936 where: short stacking energy: -819.839 Base-Backbone interact. energy: -4.983 local terms energy: -881.546178 where: bonds (distance) C4'-P energy: -165.211 bonds (distance) P-C4' energy: -156.261 flat angles C4'-P-C4' energy: -196.005 flat angles P-C4'-P energy: -128.415 tors. eta vs tors. theta energy: -235.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -2738.453494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2738.453494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2738.453494 (E_RNA) where: Base-Base interactions energy: -1888.798 where: short stacking energy: -813.731 Base-Backbone interact. energy: -1.017 local terms energy: -848.638789 where: bonds (distance) C4'-P energy: -164.075 bonds (distance) P-C4' energy: -167.175 flat angles C4'-P-C4' energy: -186.837 flat angles P-C4'-P energy: -106.329 tors. eta vs tors. theta energy: -224.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -2591.333022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2591.333022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2591.333022 (E_RNA) where: Base-Base interactions energy: -1774.546 where: short stacking energy: -769.883 Base-Backbone interact. energy: 3.645 local terms energy: -820.432430 where: bonds (distance) C4'-P energy: -147.859 bonds (distance) P-C4' energy: -169.686 flat angles C4'-P-C4' energy: -176.937 flat angles P-C4'-P energy: -115.589 tors. eta vs tors. theta energy: -210.361 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: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -2379.638207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2379.638207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2379.638207 (E_RNA) where: Base-Base interactions energy: -1621.958 where: short stacking energy: -711.849 Base-Backbone interact. energy: -3.848 local terms energy: -753.832269 where: bonds (distance) C4'-P energy: -156.267 bonds (distance) P-C4' energy: -145.608 flat angles C4'-P-C4' energy: -162.655 flat angles P-C4'-P energy: -93.194 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: 8, replica: 9 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1993.212664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1993.212664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1993.212664 (E_RNA) where: Base-Base interactions energy: -1314.531 where: short stacking energy: -573.694 Base-Backbone interact. energy: 3.349 local terms energy: -682.030336 where: bonds (distance) C4'-P energy: -155.300 bonds (distance) P-C4' energy: -168.244 flat angles C4'-P-C4' energy: -150.481 flat angles P-C4'-P energy: -91.975 tors. eta vs tors. theta energy: -116.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -1756.031143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.031143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.031143 (E_RNA) where: Base-Base interactions energy: -1161.440 where: short stacking energy: -528.519 Base-Backbone interact. energy: 1.301 local terms energy: -595.891969 where: bonds (distance) C4'-P energy: -133.209 bonds (distance) P-C4' energy: -147.173 flat angles C4'-P-C4' energy: -112.583 flat angles P-C4'-P energy: -100.720 tors. eta vs tors. theta energy: -102.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -1359.696573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.696573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.696573 (E_RNA) where: Base-Base interactions energy: -824.905 where: short stacking energy: -384.678 Base-Backbone interact. energy: 3.504 local terms energy: -538.295437 where: bonds (distance) C4'-P energy: -137.782 bonds (distance) P-C4' energy: -125.335 flat angles C4'-P-C4' energy: -140.403 flat angles P-C4'-P energy: -107.803 tors. eta vs tors. theta energy: -26.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -3273.934136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.934136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.934136 (E_RNA) where: Base-Base interactions energy: -2281.528 where: short stacking energy: -983.414 Base-Backbone interact. energy: -3.309 local terms energy: -989.097632 where: bonds (distance) C4'-P energy: -164.521 bonds (distance) P-C4' energy: -196.381 flat angles C4'-P-C4' energy: -197.500 flat angles P-C4'-P energy: -148.923 tors. eta vs tors. theta energy: -281.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -3153.582718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.582718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.582718 (E_RNA) where: Base-Base interactions energy: -2211.754 where: short stacking energy: -933.074 Base-Backbone interact. energy: -0.722 local terms energy: -941.107002 where: bonds (distance) C4'-P energy: -168.113 bonds (distance) P-C4' energy: -173.038 flat angles C4'-P-C4' energy: -197.344 flat angles P-C4'-P energy: -130.790 tors. eta vs tors. theta energy: -271.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -3067.413756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.413756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.413756 (E_RNA) where: Base-Base interactions energy: -2143.300 where: short stacking energy: -911.872 Base-Backbone interact. energy: -6.179 local terms energy: -917.934741 where: bonds (distance) C4'-P energy: -148.411 bonds (distance) P-C4' energy: -169.600 flat angles C4'-P-C4' energy: -208.493 flat angles P-C4'-P energy: -137.499 tors. eta vs tors. theta energy: -253.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -2949.485407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2949.485407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2949.485407 (E_RNA) where: Base-Base interactions energy: -2047.487 where: short stacking energy: -850.763 Base-Backbone interact. energy: -7.685 local terms energy: -894.312770 where: bonds (distance) C4'-P energy: -150.529 bonds (distance) P-C4' energy: -183.261 flat angles C4'-P-C4' energy: -197.300 flat angles P-C4'-P energy: -116.619 tors. eta vs tors. theta energy: -246.604 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: 7 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -2727.672830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.672830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.672830 (E_RNA) where: Base-Base interactions energy: -1873.773 where: short stacking energy: -804.524 Base-Backbone interact. energy: -3.820 local terms energy: -850.080153 where: bonds (distance) C4'-P energy: -171.079 bonds (distance) P-C4' energy: -161.133 flat angles C4'-P-C4' energy: -183.637 flat angles P-C4'-P energy: -117.744 tors. eta vs tors. theta energy: -216.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -2571.085052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2571.085052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2571.085052 (E_RNA) where: Base-Base interactions energy: -1772.780 where: short stacking energy: -774.358 Base-Backbone interact. energy: 3.642 local terms energy: -801.946575 where: bonds (distance) C4'-P energy: -137.115 bonds (distance) P-C4' energy: -157.543 flat angles C4'-P-C4' energy: -180.882 flat angles P-C4'-P energy: -108.922 tors. eta vs tors. theta energy: -217.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -2372.359028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2372.359028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2372.359028 (E_RNA) where: Base-Base interactions energy: -1642.180 where: short stacking energy: -719.485 Base-Backbone interact. energy: -0.705 local terms energy: -729.474101 where: bonds (distance) C4'-P energy: -130.518 bonds (distance) P-C4' energy: -146.122 flat angles C4'-P-C4' energy: -167.178 flat angles P-C4'-P energy: -88.554 tors. eta vs tors. theta energy: -197.102 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: 9 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -2052.894554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2052.894554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2052.894554 (E_RNA) where: Base-Base interactions energy: -1347.859 where: short stacking energy: -580.277 Base-Backbone interact. energy: -1.851 local terms energy: -703.184792 where: bonds (distance) C4'-P energy: -164.901 bonds (distance) P-C4' energy: -150.508 flat angles C4'-P-C4' energy: -169.883 flat angles P-C4'-P energy: -99.182 tors. eta vs tors. theta energy: -118.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -1753.599206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.599206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.599206 (E_RNA) where: Base-Base interactions energy: -1153.774 where: short stacking energy: -497.006 Base-Backbone interact. energy: -0.626 local terms energy: -599.199211 where: bonds (distance) C4'-P energy: -136.917 bonds (distance) P-C4' energy: -146.600 flat angles C4'-P-C4' energy: -143.746 flat angles P-C4'-P energy: -88.636 tors. eta vs tors. theta energy: -83.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -1359.170285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.170285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.170285 (E_RNA) where: Base-Base interactions energy: -777.946 where: short stacking energy: -363.589 Base-Backbone interact. energy: -0.316 local terms energy: -580.908203 where: bonds (distance) C4'-P energy: -142.777 bonds (distance) P-C4' energy: -151.719 flat angles C4'-P-C4' energy: -156.770 flat angles P-C4'-P energy: -91.338 tors. eta vs tors. theta energy: -38.304 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: 1, replica: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -3279.329632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.329632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.329632 (E_RNA) where: Base-Base interactions energy: -2285.023 where: short stacking energy: -968.215 Base-Backbone interact. energy: 0.091 local terms energy: -994.397682 where: bonds (distance) C4'-P energy: -166.991 bonds (distance) P-C4' energy: -195.291 flat angles C4'-P-C4' energy: -216.703 flat angles P-C4'-P energy: -139.717 tors. eta vs tors. theta energy: -275.696 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: 1 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -3158.934342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3158.934342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3158.934342 (E_RNA) where: Base-Base interactions energy: -2200.733 where: short stacking energy: -922.298 Base-Backbone interact. energy: -0.036 local terms energy: -958.164613 where: bonds (distance) C4'-P energy: -182.167 bonds (distance) P-C4' energy: -173.758 flat angles C4'-P-C4' energy: -199.122 flat angles P-C4'-P energy: -133.137 tors. eta vs tors. theta energy: -269.981 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: 6 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -3038.767521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3038.767521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3038.767521 (E_RNA) where: Base-Base interactions energy: -2150.047 where: short stacking energy: -885.394 Base-Backbone interact. energy: -0.614 local terms energy: -888.107207 where: bonds (distance) C4'-P energy: -164.517 bonds (distance) P-C4' energy: -166.815 flat angles C4'-P-C4' energy: -186.936 flat angles P-C4'-P energy: -120.775 tors. eta vs tors. theta energy: -249.064 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: 376 Temperature: 1.050000 Total energy: -2872.555330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2872.555330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2872.555330 (E_RNA) where: Base-Base interactions energy: -2011.668 where: short stacking energy: -821.580 Base-Backbone interact. energy: -2.583 local terms energy: -858.304784 where: bonds (distance) C4'-P energy: -171.014 bonds (distance) P-C4' energy: -151.105 flat angles C4'-P-C4' energy: -191.091 flat angles P-C4'-P energy: -108.971 tors. eta vs tors. theta energy: -236.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -2700.735485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2700.735485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2700.735485 (E_RNA) where: Base-Base interactions energy: -1843.439 where: short stacking energy: -791.924 Base-Backbone interact. energy: -2.727 local terms energy: -854.569589 where: bonds (distance) C4'-P energy: -154.582 bonds (distance) P-C4' energy: -157.412 flat angles C4'-P-C4' energy: -192.755 flat angles P-C4'-P energy: -123.355 tors. eta vs tors. theta energy: -226.466 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: 376 Temperature: 1.150000 Total energy: -2538.015584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2538.015584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2538.015584 (E_RNA) where: Base-Base interactions energy: -1750.114 where: short stacking energy: -755.800 Base-Backbone interact. energy: 1.919 local terms energy: -789.819904 where: bonds (distance) C4'-P energy: -159.680 bonds (distance) P-C4' energy: -159.110 flat angles C4'-P-C4' energy: -171.189 flat angles P-C4'-P energy: -99.348 tors. eta vs tors. theta energy: -200.492 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: 376 Temperature: 1.200000 Total energy: -2310.905862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2310.905862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2310.905862 (E_RNA) where: Base-Base interactions energy: -1553.116 where: short stacking energy: -680.558 Base-Backbone interact. energy: -3.795 local terms energy: -753.994442 where: bonds (distance) C4'-P energy: -143.676 bonds (distance) P-C4' energy: -149.269 flat angles C4'-P-C4' energy: -176.426 flat angles P-C4'-P energy: -99.661 tors. eta vs tors. theta energy: -184.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -2075.226693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2075.226693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2075.226693 (E_RNA) where: Base-Base interactions energy: -1401.011 where: short stacking energy: -578.039 Base-Backbone interact. energy: -0.509 local terms energy: -673.706172 where: bonds (distance) C4'-P energy: -127.826 bonds (distance) P-C4' energy: -162.354 flat angles C4'-P-C4' energy: -171.402 flat angles P-C4'-P energy: -91.897 tors. eta vs tors. theta energy: -120.227 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: 5 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -1636.011693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.011693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.011693 (E_RNA) where: Base-Base interactions energy: -1052.991 where: short stacking energy: -469.427 Base-Backbone interact. energy: 1.641 local terms energy: -584.660823 where: bonds (distance) C4'-P energy: -135.765 bonds (distance) P-C4' energy: -164.124 flat angles C4'-P-C4' energy: -123.171 flat angles P-C4'-P energy: -96.033 tors. eta vs tors. theta energy: -65.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -1404.755522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.755522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.755522 (E_RNA) where: Base-Base interactions energy: -896.752 where: short stacking energy: -416.699 Base-Backbone interact. energy: 1.249 local terms energy: -509.252846 where: bonds (distance) C4'-P energy: -158.832 bonds (distance) P-C4' energy: -151.645 flat angles C4'-P-C4' energy: -113.949 flat angles P-C4'-P energy: -54.023 tors. eta vs tors. theta energy: -30.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -3271.215079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3271.215079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3271.215079 (E_RNA) where: Base-Base interactions energy: -2312.542 where: short stacking energy: -982.912 Base-Backbone interact. energy: -2.904 local terms energy: -955.769106 where: bonds (distance) C4'-P energy: -162.012 bonds (distance) P-C4' energy: -184.407 flat angles C4'-P-C4' energy: -195.192 flat angles P-C4'-P energy: -133.125 tors. eta vs tors. theta energy: -281.033 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: 2, replica: 1 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -3155.102136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3155.102136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3155.102136 (E_RNA) where: Base-Base interactions energy: -2205.134 where: short stacking energy: -924.883 Base-Backbone interact. energy: -0.774 local terms energy: -949.193925 where: bonds (distance) C4'-P energy: -162.660 bonds (distance) P-C4' energy: -186.871 flat angles C4'-P-C4' energy: -204.542 flat angles P-C4'-P energy: -130.802 tors. eta vs tors. theta energy: -264.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -3052.511792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.511792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.511792 (E_RNA) where: Base-Base interactions energy: -2158.168 where: short stacking energy: -896.101 Base-Backbone interact. energy: -5.932 local terms energy: -888.410976 where: bonds (distance) C4'-P energy: -161.357 bonds (distance) P-C4' energy: -161.458 flat angles C4'-P-C4' energy: -192.876 flat angles P-C4'-P energy: -129.088 tors. eta vs tors. theta energy: -243.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -2913.227713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2913.227713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2913.227713 (E_RNA) where: Base-Base interactions energy: -1985.289 where: short stacking energy: -837.519 Base-Backbone interact. energy: -5.984 local terms energy: -921.954503 where: bonds (distance) C4'-P energy: -176.360 bonds (distance) P-C4' energy: -173.601 flat angles C4'-P-C4' energy: -198.151 flat angles P-C4'-P energy: -130.793 tors. eta vs tors. theta energy: -243.050 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: 7 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -2717.881519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2717.881519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2717.881519 (E_RNA) where: Base-Base interactions energy: -1848.703 where: short stacking energy: -817.689 Base-Backbone interact. energy: -1.520 local terms energy: -867.658810 where: bonds (distance) C4'-P energy: -158.734 bonds (distance) P-C4' energy: -155.565 flat angles C4'-P-C4' energy: -198.439 flat angles P-C4'-P energy: -123.612 tors. eta vs tors. theta energy: -231.309 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: 6, replica: 3 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -2499.201647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2499.201647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2499.201647 (E_RNA) where: Base-Base interactions energy: -1691.809 where: short stacking energy: -739.323 Base-Backbone interact. energy: -0.709 local terms energy: -806.683699 where: bonds (distance) C4'-P energy: -155.457 bonds (distance) P-C4' energy: -153.909 flat angles C4'-P-C4' energy: -178.346 flat angles P-C4'-P energy: -125.006 tors. eta vs tors. theta energy: -193.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -2392.397846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2392.397846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2392.397846 (E_RNA) where: Base-Base interactions energy: -1651.356 where: short stacking energy: -688.264 Base-Backbone interact. energy: -3.081 local terms energy: -737.960410 where: bonds (distance) C4'-P energy: -143.281 bonds (distance) P-C4' energy: -138.512 flat angles C4'-P-C4' energy: -173.187 flat angles P-C4'-P energy: -100.142 tors. eta vs tors. theta energy: -182.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -2036.765585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2036.765585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2036.765585 (E_RNA) where: Base-Base interactions energy: -1358.309 where: short stacking energy: -563.904 Base-Backbone interact. energy: 4.699 local terms energy: -683.155688 where: bonds (distance) C4'-P energy: -135.124 bonds (distance) P-C4' energy: -156.561 flat angles C4'-P-C4' energy: -177.496 flat angles P-C4'-P energy: -94.199 tors. eta vs tors. theta energy: -119.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -1641.871579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.871579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.871579 (E_RNA) where: Base-Base interactions energy: -1040.357 where: short stacking energy: -478.067 Base-Backbone interact. energy: -1.396 local terms energy: -600.117879 where: bonds (distance) C4'-P energy: -139.323 bonds (distance) P-C4' energy: -151.213 flat angles C4'-P-C4' energy: -139.512 flat angles P-C4'-P energy: -97.274 tors. eta vs tors. theta energy: -72.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -1366.752317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.752317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.752317 (E_RNA) where: Base-Base interactions energy: -840.214 where: short stacking energy: -403.410 Base-Backbone interact. energy: 10.940 local terms energy: -537.477932 where: bonds (distance) C4'-P energy: -136.891 bonds (distance) P-C4' energy: -135.292 flat angles C4'-P-C4' energy: -139.347 flat angles P-C4'-P energy: -82.678 tors. eta vs tors. theta energy: -43.271 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: 2 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -3246.158774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.158774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.158774 (E_RNA) where: Base-Base interactions energy: -2249.467 where: short stacking energy: -949.271 Base-Backbone interact. energy: -2.086 local terms energy: -994.605618 where: bonds (distance) C4'-P energy: -193.949 bonds (distance) P-C4' energy: -189.205 flat angles C4'-P-C4' energy: -208.435 flat angles P-C4'-P energy: -130.443 tors. eta vs tors. theta energy: -272.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -3171.390370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3171.390370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3171.390370 (E_RNA) where: Base-Base interactions energy: -2223.496 where: short stacking energy: -967.438 Base-Backbone interact. energy: -0.309 local terms energy: -947.585748 where: bonds (distance) C4'-P energy: -166.142 bonds (distance) P-C4' energy: -158.754 flat angles C4'-P-C4' energy: -213.147 flat angles P-C4'-P energy: -125.639 tors. eta vs tors. theta energy: -283.904 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: 3, replica: 6 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -3050.915919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.915919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.915919 (E_RNA) where: Base-Base interactions energy: -2156.471 where: short stacking energy: -867.559 Base-Backbone interact. energy: -5.122 local terms energy: -889.322962 where: bonds (distance) C4'-P energy: -160.121 bonds (distance) P-C4' energy: -174.447 flat angles C4'-P-C4' energy: -194.595 flat angles P-C4'-P energy: -132.336 tors. eta vs tors. theta energy: -227.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -2877.448133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.448133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.448133 (E_RNA) where: Base-Base interactions energy: -1977.278 where: short stacking energy: -826.088 Base-Backbone interact. energy: -6.164 local terms energy: -894.006232 where: bonds (distance) C4'-P energy: -162.651 bonds (distance) P-C4' energy: -164.523 flat angles C4'-P-C4' energy: -200.902 flat angles P-C4'-P energy: -116.961 tors. eta vs tors. theta energy: -248.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -2744.875289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.875289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.875289 (E_RNA) where: Base-Base interactions energy: -1895.262 where: short stacking energy: -802.652 Base-Backbone interact. energy: -1.223 local terms energy: -848.390136 where: bonds (distance) C4'-P energy: -160.990 bonds (distance) P-C4' energy: -159.821 flat angles C4'-P-C4' energy: -175.676 flat angles P-C4'-P energy: -103.908 tors. eta vs tors. theta energy: -247.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -2524.279240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2524.279240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2524.279240 (E_RNA) where: Base-Base interactions energy: -1727.363 where: short stacking energy: -736.061 Base-Backbone interact. energy: 0.488 local terms energy: -797.404355 where: bonds (distance) C4'-P energy: -160.639 bonds (distance) P-C4' energy: -135.301 flat angles C4'-P-C4' energy: -180.079 flat angles P-C4'-P energy: -128.354 tors. eta vs tors. theta energy: -193.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -2414.746308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.746308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.746308 (E_RNA) where: Base-Base interactions energy: -1678.513 where: short stacking energy: -717.284 Base-Backbone interact. energy: -5.478 local terms energy: -730.755845 where: bonds (distance) C4'-P energy: -147.157 bonds (distance) P-C4' energy: -124.277 flat angles C4'-P-C4' energy: -163.720 flat angles P-C4'-P energy: -113.681 tors. eta vs tors. theta energy: -181.921 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: 9 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -2028.064230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2028.064230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2028.064230 (E_RNA) where: Base-Base interactions energy: -1336.516 where: short stacking energy: -567.935 Base-Backbone interact. energy: -2.103 local terms energy: -689.445282 where: bonds (distance) C4'-P energy: -132.293 bonds (distance) P-C4' energy: -145.683 flat angles C4'-P-C4' energy: -164.440 flat angles P-C4'-P energy: -116.217 tors. eta vs tors. theta energy: -130.812 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: 5 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -1600.456126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.456126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.456126 (E_RNA) where: Base-Base interactions energy: -992.131 where: short stacking energy: -435.769 Base-Backbone interact. energy: -2.036 local terms energy: -606.288598 where: bonds (distance) C4'-P energy: -146.323 bonds (distance) P-C4' energy: -147.262 flat angles C4'-P-C4' energy: -154.634 flat angles P-C4'-P energy: -87.850 tors. eta vs tors. theta energy: -70.220 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: 10 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -1328.280007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.280007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.280007 (E_RNA) where: Base-Base interactions energy: -825.606 where: short stacking energy: -372.642 Base-Backbone interact. energy: 2.623 local terms energy: -505.297391 where: bonds (distance) C4'-P energy: -144.311 bonds (distance) P-C4' energy: -146.492 flat angles C4'-P-C4' energy: -121.922 flat angles P-C4'-P energy: -70.591 tors. eta vs tors. theta energy: -21.981 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: 1, replica: 2 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -3269.005053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3269.005053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3269.005053 (E_RNA) where: Base-Base interactions energy: -2288.423 where: short stacking energy: -947.451 Base-Backbone interact. energy: -0.708 local terms energy: -979.873869 where: bonds (distance) C4'-P energy: -189.660 bonds (distance) P-C4' energy: -182.644 flat angles C4'-P-C4' energy: -213.292 flat angles P-C4'-P energy: -140.933 tors. eta vs tors. theta energy: -253.345 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: 379 Temperature: 0.950000 Total energy: -3138.615417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3138.615417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3138.615417 (E_RNA) where: Base-Base interactions energy: -2171.855 where: short stacking energy: -926.949 Base-Backbone interact. energy: -1.042 local terms energy: -965.717877 where: bonds (distance) C4'-P energy: -183.806 bonds (distance) P-C4' energy: -182.186 flat angles C4'-P-C4' energy: -189.374 flat angles P-C4'-P energy: -137.422 tors. eta vs tors. theta energy: -272.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -3030.413357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3030.413357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3030.413357 (E_RNA) where: Base-Base interactions energy: -2149.934 where: short stacking energy: -900.209 Base-Backbone interact. energy: 2.800 local terms energy: -883.279057 where: bonds (distance) C4'-P energy: -153.955 bonds (distance) P-C4' energy: -162.922 flat angles C4'-P-C4' energy: -191.932 flat angles P-C4'-P energy: -121.784 tors. eta vs tors. theta energy: -252.686 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: 8 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -2832.116545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2832.116545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2832.116545 (E_RNA) where: Base-Base interactions energy: -1969.907 where: short stacking energy: -799.726 Base-Backbone interact. energy: 2.022 local terms energy: -864.231857 where: bonds (distance) C4'-P energy: -162.388 bonds (distance) P-C4' energy: -160.806 flat angles C4'-P-C4' energy: -195.964 flat angles P-C4'-P energy: -128.042 tors. eta vs tors. theta energy: -217.033 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: 5, replica: 7 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -2679.232559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2679.232559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2679.232559 (E_RNA) where: Base-Base interactions energy: -1825.413 where: short stacking energy: -792.555 Base-Backbone interact. energy: -2.923 local terms energy: -850.896012 where: bonds (distance) C4'-P energy: -148.102 bonds (distance) P-C4' energy: -160.012 flat angles C4'-P-C4' energy: -198.488 flat angles P-C4'-P energy: -117.684 tors. eta vs tors. theta energy: -226.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -2621.243370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2621.243370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2621.243370 (E_RNA) where: Base-Base interactions energy: -1810.045 where: short stacking energy: -787.126 Base-Backbone interact. energy: -1.401 local terms energy: -809.798014 where: bonds (distance) C4'-P energy: -147.801 bonds (distance) P-C4' energy: -140.480 flat angles C4'-P-C4' energy: -177.172 flat angles P-C4'-P energy: -120.837 tors. eta vs tors. theta energy: -223.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -2425.248757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.248757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.248757 (E_RNA) where: Base-Base interactions energy: -1655.505 where: short stacking energy: -693.277 Base-Backbone interact. energy: -4.318 local terms energy: -765.425382 where: bonds (distance) C4'-P energy: -152.002 bonds (distance) P-C4' energy: -144.342 flat angles C4'-P-C4' energy: -167.799 flat angles P-C4'-P energy: -105.991 tors. eta vs tors. theta energy: -195.291 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: 9 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -2030.184595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.184595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.184595 (E_RNA) where: Base-Base interactions energy: -1357.829 where: short stacking energy: -586.220 Base-Backbone interact. energy: 0.180 local terms energy: -672.536162 where: bonds (distance) C4'-P energy: -167.715 bonds (distance) P-C4' energy: -134.506 flat angles C4'-P-C4' energy: -140.242 flat angles P-C4'-P energy: -95.645 tors. eta vs tors. theta energy: -134.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -1601.508389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.508389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.508389 (E_RNA) where: Base-Base interactions energy: -999.368 where: short stacking energy: -485.898 Base-Backbone interact. energy: 0.235 local terms energy: -602.374782 where: bonds (distance) C4'-P energy: -153.483 bonds (distance) P-C4' energy: -150.040 flat angles C4'-P-C4' energy: -156.880 flat angles P-C4'-P energy: -65.643 tors. eta vs tors. theta energy: -76.328 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: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -1443.641608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.641608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.641608 (E_RNA) where: Base-Base interactions energy: -891.993 where: short stacking energy: -418.272 Base-Backbone interact. energy: 4.386 local terms energy: -556.034767 where: bonds (distance) C4'-P energy: -145.918 bonds (distance) P-C4' energy: -147.126 flat angles C4'-P-C4' energy: -139.338 flat angles P-C4'-P energy: -73.007 tors. eta vs tors. theta energy: -50.646 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: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -3287.799887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3287.799887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3287.799887 (E_RNA) where: Base-Base interactions energy: -2319.361 where: short stacking energy: -955.697 Base-Backbone interact. energy: -0.645 local terms energy: -967.793696 where: bonds (distance) C4'-P energy: -168.337 bonds (distance) P-C4' energy: -192.660 flat angles C4'-P-C4' energy: -204.768 flat angles P-C4'-P energy: -134.822 tors. eta vs tors. theta energy: -267.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -3175.854350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3175.854350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3175.854350 (E_RNA) where: Base-Base interactions energy: -2220.608 where: short stacking energy: -943.847 Base-Backbone interact. energy: -2.344 local terms energy: -952.902237 where: bonds (distance) C4'-P energy: -165.252 bonds (distance) P-C4' energy: -183.829 flat angles C4'-P-C4' energy: -209.532 flat angles P-C4'-P energy: -122.292 tors. eta vs tors. theta energy: -271.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -3049.124785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.124785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.124785 (E_RNA) where: Base-Base interactions energy: -2140.908 where: short stacking energy: -884.164 Base-Backbone interact. energy: -0.219 local terms energy: -907.997788 where: bonds (distance) C4'-P energy: -167.278 bonds (distance) P-C4' energy: -169.748 flat angles C4'-P-C4' energy: -201.518 flat angles P-C4'-P energy: -134.048 tors. eta vs tors. theta energy: -235.407 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: 8 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -2891.617584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2891.617584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2891.617584 (E_RNA) where: Base-Base interactions energy: -1998.866 where: short stacking energy: -810.320 Base-Backbone interact. energy: -5.488 local terms energy: -887.263677 where: bonds (distance) C4'-P energy: -168.216 bonds (distance) P-C4' energy: -174.040 flat angles C4'-P-C4' energy: -186.017 flat angles P-C4'-P energy: -125.689 tors. eta vs tors. theta energy: -233.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -2802.285481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2802.285481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2802.285481 (E_RNA) where: Base-Base interactions energy: -1959.345 where: short stacking energy: -835.552 Base-Backbone interact. energy: -0.579 local terms energy: -842.361841 where: bonds (distance) C4'-P energy: -153.947 bonds (distance) P-C4' energy: -142.908 flat angles C4'-P-C4' energy: -193.094 flat angles P-C4'-P energy: -126.346 tors. eta vs tors. theta energy: -226.066 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: 380 Temperature: 1.150000 Total energy: -2535.659671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.659671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.659671 (E_RNA) where: Base-Base interactions energy: -1743.124 where: short stacking energy: -782.739 Base-Backbone interact. energy: 1.923 local terms energy: -794.459014 where: bonds (distance) C4'-P energy: -110.902 bonds (distance) P-C4' energy: -161.275 flat angles C4'-P-C4' energy: -179.762 flat angles P-C4'-P energy: -125.717 tors. eta vs tors. theta energy: -216.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -2394.183180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2394.183180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2394.183180 (E_RNA) where: Base-Base interactions energy: -1640.605 where: short stacking energy: -681.171 Base-Backbone interact. energy: -3.639 local terms energy: -749.939293 where: bonds (distance) C4'-P energy: -148.666 bonds (distance) P-C4' energy: -149.339 flat angles C4'-P-C4' energy: -159.896 flat angles P-C4'-P energy: -102.128 tors. eta vs tors. theta energy: -189.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -2060.462574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2060.462574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2060.462574 (E_RNA) where: Base-Base interactions energy: -1380.808 where: short stacking energy: -571.225 Base-Backbone interact. energy: -2.841 local terms energy: -676.813708 where: bonds (distance) C4'-P energy: -140.153 bonds (distance) P-C4' energy: -141.191 flat angles C4'-P-C4' energy: -153.428 flat angles P-C4'-P energy: -94.481 tors. eta vs tors. theta energy: -147.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -1635.744984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.744984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.744984 (E_RNA) where: Base-Base interactions energy: -1037.982 where: short stacking energy: -467.353 Base-Backbone interact. energy: 1.965 local terms energy: -599.727977 where: bonds (distance) C4'-P energy: -142.597 bonds (distance) P-C4' energy: -142.648 flat angles C4'-P-C4' energy: -145.958 flat angles P-C4'-P energy: -90.939 tors. eta vs tors. theta energy: -77.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -1499.690508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.690508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.690508 (E_RNA) where: Base-Base interactions energy: -937.341 where: short stacking energy: -429.846 Base-Backbone interact. energy: 5.530 local terms energy: -567.878958 where: bonds (distance) C4'-P energy: -138.577 bonds (distance) P-C4' energy: -160.808 flat angles C4'-P-C4' energy: -154.286 flat angles P-C4'-P energy: -75.260 tors. eta vs tors. theta energy: -38.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -3267.373428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3267.373428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3267.373428 (E_RNA) where: Base-Base interactions energy: -2281.919 where: short stacking energy: -956.436 Base-Backbone interact. energy: -2.646 local terms energy: -982.808503 where: bonds (distance) C4'-P energy: -176.612 bonds (distance) P-C4' energy: -186.626 flat angles C4'-P-C4' energy: -205.491 flat angles P-C4'-P energy: -139.865 tors. eta vs tors. theta energy: -274.215 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: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -3141.139435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.139435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.139435 (E_RNA) where: Base-Base interactions energy: -2193.219 where: short stacking energy: -916.030 Base-Backbone interact. energy: -0.444 local terms energy: -947.476230 where: bonds (distance) C4'-P energy: -168.124 bonds (distance) P-C4' energy: -180.488 flat angles C4'-P-C4' energy: -192.928 flat angles P-C4'-P energy: -141.850 tors. eta vs tors. theta energy: -264.088 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: 6 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -3033.227860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3033.227860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3033.227860 (E_RNA) where: Base-Base interactions energy: -2138.488 where: short stacking energy: -899.986 Base-Backbone interact. energy: -0.270 local terms energy: -894.469671 where: bonds (distance) C4'-P energy: -140.140 bonds (distance) P-C4' energy: -177.548 flat angles C4'-P-C4' energy: -187.075 flat angles P-C4'-P energy: -133.807 tors. eta vs tors. theta energy: -255.900 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: 4, replica: 8 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -2918.985214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.985214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.985214 (E_RNA) where: Base-Base interactions energy: -2028.860 where: short stacking energy: -855.853 Base-Backbone interact. energy: -1.843 local terms energy: -888.281970 where: bonds (distance) C4'-P energy: -162.557 bonds (distance) P-C4' energy: -148.536 flat angles C4'-P-C4' energy: -198.149 flat angles P-C4'-P energy: -119.939 tors. eta vs tors. theta energy: -259.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -2769.789561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.789561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.789561 (E_RNA) where: Base-Base interactions energy: -1943.206 where: short stacking energy: -823.220 Base-Backbone interact. energy: -2.343 local terms energy: -824.240970 where: bonds (distance) C4'-P energy: -145.734 bonds (distance) P-C4' energy: -149.058 flat angles C4'-P-C4' energy: -190.331 flat angles P-C4'-P energy: -123.362 tors. eta vs tors. theta energy: -215.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -2541.980021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2541.980021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2541.980021 (E_RNA) where: Base-Base interactions energy: -1710.857 where: short stacking energy: -741.828 Base-Backbone interact. energy: 2.430 local terms energy: -833.552697 where: bonds (distance) C4'-P energy: -156.152 bonds (distance) P-C4' energy: -174.235 flat angles C4'-P-C4' energy: -173.354 flat angles P-C4'-P energy: -133.783 tors. eta vs tors. theta energy: -196.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -2327.768267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2327.768267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2327.768267 (E_RNA) where: Base-Base interactions energy: -1574.266 where: short stacking energy: -655.751 Base-Backbone interact. energy: 1.608 local terms energy: -755.110367 where: bonds (distance) C4'-P energy: -169.506 bonds (distance) P-C4' energy: -168.418 flat angles C4'-P-C4' energy: -176.269 flat angles P-C4'-P energy: -83.126 tors. eta vs tors. theta energy: -157.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -2023.476824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2023.476824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2023.476824 (E_RNA) where: Base-Base interactions energy: -1353.182 where: short stacking energy: -586.782 Base-Backbone interact. energy: -3.965 local terms energy: -666.329935 where: bonds (distance) C4'-P energy: -134.362 bonds (distance) P-C4' energy: -161.184 flat angles C4'-P-C4' energy: -165.400 flat angles P-C4'-P energy: -85.520 tors. eta vs tors. theta energy: -119.865 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: 5 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -1689.209515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.209515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.209515 (E_RNA) where: Base-Base interactions energy: -1082.291 where: short stacking energy: -472.156 Base-Backbone interact. energy: 3.954 local terms energy: -610.873077 where: bonds (distance) C4'-P energy: -145.584 bonds (distance) P-C4' energy: -151.467 flat angles C4'-P-C4' energy: -145.951 flat angles P-C4'-P energy: -101.630 tors. eta vs tors. theta energy: -66.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -1436.556684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.556684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.556684 (E_RNA) where: Base-Base interactions energy: -886.310 where: short stacking energy: -391.468 Base-Backbone interact. energy: -3.594 local terms energy: -546.652270 where: bonds (distance) C4'-P energy: -148.425 bonds (distance) P-C4' energy: -137.204 flat angles C4'-P-C4' energy: -137.762 flat angles P-C4'-P energy: -67.853 tors. eta vs tors. theta energy: -55.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -3281.930763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3281.930763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3281.930763 (E_RNA) where: Base-Base interactions energy: -2317.028 where: short stacking energy: -979.042 Base-Backbone interact. energy: -2.248 local terms energy: -962.655382 where: bonds (distance) C4'-P energy: -162.069 bonds (distance) P-C4' energy: -178.379 flat angles C4'-P-C4' energy: -218.285 flat angles P-C4'-P energy: -127.622 tors. eta vs tors. theta energy: -276.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -3160.508262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3160.508262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3160.508262 (E_RNA) where: Base-Base interactions energy: -2190.760 where: short stacking energy: -926.871 Base-Backbone interact. energy: -4.768 local terms energy: -964.980752 where: bonds (distance) C4'-P energy: -190.957 bonds (distance) P-C4' energy: -181.505 flat angles C4'-P-C4' energy: -197.805 flat angles P-C4'-P energy: -133.474 tors. eta vs tors. theta energy: -261.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -3075.483928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.483928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.483928 (E_RNA) where: Base-Base interactions energy: -2176.420 where: short stacking energy: -948.987 Base-Backbone interact. energy: 3.609 local terms energy: -902.673149 where: bonds (distance) C4'-P energy: -166.790 bonds (distance) P-C4' energy: -156.327 flat angles C4'-P-C4' energy: -190.468 flat angles P-C4'-P energy: -134.782 tors. eta vs tors. theta energy: -254.306 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: 8 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -2918.673301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2918.673301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2918.673301 (E_RNA) where: Base-Base interactions energy: -2051.531 where: short stacking energy: -877.417 Base-Backbone interact. energy: -2.262 local terms energy: -864.880335 where: bonds (distance) C4'-P energy: -152.203 bonds (distance) P-C4' energy: -150.397 flat angles C4'-P-C4' energy: -191.300 flat angles P-C4'-P energy: -113.526 tors. eta vs tors. theta energy: -257.455 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: 7 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -2744.428639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.428639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.428639 (E_RNA) where: Base-Base interactions energy: -1878.176 where: short stacking energy: -833.740 Base-Backbone interact. energy: -4.174 local terms energy: -862.078344 where: bonds (distance) C4'-P energy: -172.835 bonds (distance) P-C4' energy: -153.796 flat angles C4'-P-C4' energy: -184.367 flat angles P-C4'-P energy: -114.433 tors. eta vs tors. theta energy: -236.647 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: 3 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -2592.459864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2592.459864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2592.459864 (E_RNA) where: Base-Base interactions energy: -1781.337 where: short stacking energy: -811.790 Base-Backbone interact. energy: -2.673 local terms energy: -808.449554 where: bonds (distance) C4'-P energy: -151.780 bonds (distance) P-C4' energy: -156.529 flat angles C4'-P-C4' energy: -179.762 flat angles P-C4'-P energy: -107.825 tors. eta vs tors. theta energy: -212.554 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: 382 Temperature: 1.200000 Total energy: -2300.493391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2300.493391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2300.493391 (E_RNA) where: Base-Base interactions energy: -1536.340 where: short stacking energy: -632.976 Base-Backbone interact. energy: 1.683 local terms energy: -765.836093 where: bonds (distance) C4'-P energy: -150.461 bonds (distance) P-C4' energy: -170.187 flat angles C4'-P-C4' energy: -165.825 flat angles P-C4'-P energy: -112.960 tors. eta vs tors. theta energy: -166.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -2011.861897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2011.861897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2011.861897 (E_RNA) where: Base-Base interactions energy: -1376.042 where: short stacking energy: -596.474 Base-Backbone interact. energy: 5.971 local terms energy: -641.791065 where: bonds (distance) C4'-P energy: -152.482 bonds (distance) P-C4' energy: -121.007 flat angles C4'-P-C4' energy: -160.792 flat angles P-C4'-P energy: -91.684 tors. eta vs tors. theta energy: -115.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -1675.301544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.301544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.301544 (E_RNA) where: Base-Base interactions energy: -1083.148 where: short stacking energy: -462.181 Base-Backbone interact. energy: -1.999 local terms energy: -590.154699 where: bonds (distance) C4'-P energy: -135.672 bonds (distance) P-C4' energy: -156.920 flat angles C4'-P-C4' energy: -142.937 flat angles P-C4'-P energy: -89.627 tors. eta vs tors. theta energy: -64.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -1347.332920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.332920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.332920 (E_RNA) where: Base-Base interactions energy: -830.826 where: short stacking energy: -387.492 Base-Backbone interact. energy: -2.868 local terms energy: -513.638975 where: bonds (distance) C4'-P energy: -124.095 bonds (distance) P-C4' energy: -133.791 flat angles C4'-P-C4' energy: -131.833 flat angles P-C4'-P energy: -66.026 tors. eta vs tors. theta energy: -57.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -3279.460898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.460898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.460898 (E_RNA) where: Base-Base interactions energy: -2291.887 where: short stacking energy: -945.563 Base-Backbone interact. energy: -2.158 local terms energy: -985.415659 where: bonds (distance) C4'-P energy: -173.232 bonds (distance) P-C4' energy: -191.490 flat angles C4'-P-C4' energy: -202.404 flat angles P-C4'-P energy: -142.695 tors. eta vs tors. theta energy: -275.594 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: 383 Temperature: 0.950000 Total energy: -3148.291714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.291714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.291714 (E_RNA) where: Base-Base interactions energy: -2191.274 where: short stacking energy: -934.518 Base-Backbone interact. energy: -4.482 local terms energy: -952.535260 where: bonds (distance) C4'-P energy: -177.543 bonds (distance) P-C4' energy: -182.991 flat angles C4'-P-C4' energy: -211.670 flat angles P-C4'-P energy: -123.065 tors. eta vs tors. theta energy: -257.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -3091.906695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.906695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.906695 (E_RNA) where: Base-Base interactions energy: -2146.591 where: short stacking energy: -921.159 Base-Backbone interact. energy: -3.282 local terms energy: -942.033896 where: bonds (distance) C4'-P energy: -182.373 bonds (distance) P-C4' energy: -174.291 flat angles C4'-P-C4' energy: -187.451 flat angles P-C4'-P energy: -128.935 tors. eta vs tors. theta energy: -268.984 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: 4, replica: 8 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -2933.083675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2933.083675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2933.083675 (E_RNA) where: Base-Base interactions energy: -2049.287 where: short stacking energy: -833.139 Base-Backbone interact. energy: -3.525 local terms energy: -880.271842 where: bonds (distance) C4'-P energy: -156.360 bonds (distance) P-C4' energy: -167.063 flat angles C4'-P-C4' energy: -204.736 flat angles P-C4'-P energy: -126.714 tors. eta vs tors. theta energy: -225.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -2762.623800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2762.623800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2762.623800 (E_RNA) where: Base-Base interactions energy: -1910.492 where: short stacking energy: -846.443 Base-Backbone interact. energy: -1.035 local terms energy: -851.097067 where: bonds (distance) C4'-P energy: -170.984 bonds (distance) P-C4' energy: -162.459 flat angles C4'-P-C4' energy: -172.877 flat angles P-C4'-P energy: -115.569 tors. eta vs tors. theta energy: -229.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -2534.212536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2534.212536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2534.212536 (E_RNA) where: Base-Base interactions energy: -1719.291 where: short stacking energy: -730.289 Base-Backbone interact. energy: 3.702 local terms energy: -818.623608 where: bonds (distance) C4'-P energy: -158.116 bonds (distance) P-C4' energy: -152.107 flat angles C4'-P-C4' energy: -181.570 flat angles P-C4'-P energy: -125.341 tors. eta vs tors. theta energy: -201.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -2342.619051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2342.619051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2342.619051 (E_RNA) where: Base-Base interactions energy: -1556.203 where: short stacking energy: -657.089 Base-Backbone interact. energy: 1.964 local terms energy: -788.379098 where: bonds (distance) C4'-P energy: -153.913 bonds (distance) P-C4' energy: -175.248 flat angles C4'-P-C4' energy: -171.879 flat angles P-C4'-P energy: -125.087 tors. eta vs tors. theta energy: -162.252 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: 8, replica: 9 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -2019.886652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.886652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.886652 (E_RNA) where: Base-Base interactions energy: -1341.834 where: short stacking energy: -564.718 Base-Backbone interact. energy: -2.155 local terms energy: -675.897395 where: bonds (distance) C4'-P energy: -168.604 bonds (distance) P-C4' energy: -156.091 flat angles C4'-P-C4' energy: -151.668 flat angles P-C4'-P energy: -89.810 tors. eta vs tors. theta energy: -109.724 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: 5 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -1698.480165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.480165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.480165 (E_RNA) where: Base-Base interactions energy: -1072.777 where: short stacking energy: -479.245 Base-Backbone interact. energy: -2.653 local terms energy: -623.050430 where: bonds (distance) C4'-P energy: -147.589 bonds (distance) P-C4' energy: -172.243 flat angles C4'-P-C4' energy: -131.973 flat angles P-C4'-P energy: -87.737 tors. eta vs tors. theta energy: -83.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -1184.762674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.762674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.762674 (E_RNA) where: Base-Base interactions energy: -705.946 where: short stacking energy: -321.696 Base-Backbone interact. energy: -2.012 local terms energy: -476.804861 where: bonds (distance) C4'-P energy: -142.832 bonds (distance) P-C4' energy: -139.420 flat angles C4'-P-C4' energy: -99.827 flat angles P-C4'-P energy: -76.261 tors. eta vs tors. theta energy: -18.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -3281.353590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3281.353590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3281.353590 (E_RNA) where: Base-Base interactions energy: -2276.479 where: short stacking energy: -969.786 Base-Backbone interact. energy: -3.866 local terms energy: -1001.009431 where: bonds (distance) C4'-P energy: -177.339 bonds (distance) P-C4' energy: -187.985 flat angles C4'-P-C4' energy: -202.466 flat angles P-C4'-P energy: -146.538 tors. eta vs tors. theta energy: -286.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -3146.037323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3146.037323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3146.037323 (E_RNA) where: Base-Base interactions energy: -2214.783 where: short stacking energy: -929.615 Base-Backbone interact. energy: -2.790 local terms energy: -928.464526 where: bonds (distance) C4'-P energy: -171.232 bonds (distance) P-C4' energy: -178.537 flat angles C4'-P-C4' energy: -190.638 flat angles P-C4'-P energy: -136.874 tors. eta vs tors. theta energy: -251.184 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: 384 Temperature: 1.000000 Total energy: -3096.067297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3096.067297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3096.067297 (E_RNA) where: Base-Base interactions energy: -2156.491 where: short stacking energy: -918.205 Base-Backbone interact. energy: -2.929 local terms energy: -936.646973 where: bonds (distance) C4'-P energy: -183.258 bonds (distance) P-C4' energy: -161.848 flat angles C4'-P-C4' energy: -184.798 flat angles P-C4'-P energy: -131.373 tors. eta vs tors. theta energy: -275.370 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: 8 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -2965.062355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.062355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.062355 (E_RNA) where: Base-Base interactions energy: -2068.582 where: short stacking energy: -835.265 Base-Backbone interact. energy: -8.875 local terms energy: -887.604862 where: bonds (distance) C4'-P energy: -147.314 bonds (distance) P-C4' energy: -158.749 flat angles C4'-P-C4' energy: -196.406 flat angles P-C4'-P energy: -124.923 tors. eta vs tors. theta energy: -260.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -2751.181688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.181688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.181688 (E_RNA) where: Base-Base interactions energy: -1933.939 where: short stacking energy: -842.260 Base-Backbone interact. energy: 6.790 local terms energy: -824.032554 where: bonds (distance) C4'-P energy: -139.781 bonds (distance) P-C4' energy: -143.310 flat angles C4'-P-C4' energy: -192.193 flat angles P-C4'-P energy: -106.170 tors. eta vs tors. theta energy: -242.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -2560.625000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2560.625000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2560.625000 (E_RNA) where: Base-Base interactions energy: -1728.010 where: short stacking energy: -773.757 Base-Backbone interact. energy: -3.043 local terms energy: -829.571944 where: bonds (distance) C4'-P energy: -156.667 bonds (distance) P-C4' energy: -159.633 flat angles C4'-P-C4' energy: -183.695 flat angles P-C4'-P energy: -120.002 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: 7, replica: 4 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -2420.500392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.500392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.500392 (E_RNA) where: Base-Base interactions energy: -1692.187 where: short stacking energy: -715.034 Base-Backbone interact. energy: -2.413 local terms energy: -725.900242 where: bonds (distance) C4'-P energy: -133.867 bonds (distance) P-C4' energy: -144.565 flat angles C4'-P-C4' energy: -165.755 flat angles P-C4'-P energy: -96.587 tors. eta vs tors. theta energy: -185.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -2038.796581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2038.796581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2038.796581 (E_RNA) where: Base-Base interactions energy: -1365.020 where: short stacking energy: -593.026 Base-Backbone interact. energy: -1.789 local terms energy: -671.987002 where: bonds (distance) C4'-P energy: -136.273 bonds (distance) P-C4' energy: -134.787 flat angles C4'-P-C4' energy: -151.617 flat angles P-C4'-P energy: -120.501 tors. eta vs tors. theta energy: -128.809 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: 9, replica: 5 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -1643.823930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.823930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.823930 (E_RNA) where: Base-Base interactions energy: -1035.509 where: short stacking energy: -482.649 Base-Backbone interact. energy: -2.067 local terms energy: -606.247764 where: bonds (distance) C4'-P energy: -157.136 bonds (distance) P-C4' energy: -140.607 flat angles C4'-P-C4' energy: -141.657 flat angles P-C4'-P energy: -89.585 tors. eta vs tors. theta energy: -77.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -1119.784287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.784287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.784287 (E_RNA) where: Base-Base interactions energy: -609.260 where: short stacking energy: -307.925 Base-Backbone interact. energy: -4.632 local terms energy: -505.892277 where: bonds (distance) C4'-P energy: -135.176 bonds (distance) P-C4' energy: -144.364 flat angles C4'-P-C4' energy: -140.526 flat angles P-C4'-P energy: -84.713 tors. eta vs tors. theta energy: -1.113 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: 2 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -3271.269028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3271.269028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3271.269028 (E_RNA) where: Base-Base interactions energy: -2298.205 where: short stacking energy: -951.569 Base-Backbone interact. energy: -1.378 local terms energy: -971.686397 where: bonds (distance) C4'-P energy: -164.109 bonds (distance) P-C4' energy: -186.880 flat angles C4'-P-C4' energy: -205.201 flat angles P-C4'-P energy: -140.372 tors. eta vs tors. theta energy: -275.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -3127.990673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3127.990673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3127.990673 (E_RNA) where: Base-Base interactions energy: -2189.020 where: short stacking energy: -924.932 Base-Backbone interact. energy: -6.043 local terms energy: -932.927180 where: bonds (distance) C4'-P energy: -179.571 bonds (distance) P-C4' energy: -175.177 flat angles C4'-P-C4' energy: -187.703 flat angles P-C4'-P energy: -130.060 tors. eta vs tors. theta energy: -260.417 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: 385 Temperature: 1.000000 Total energy: -3068.847048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.847048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.847048 (E_RNA) where: Base-Base interactions energy: -2163.095 where: short stacking energy: -927.084 Base-Backbone interact. energy: 2.283 local terms energy: -908.035136 where: bonds (distance) C4'-P energy: -161.863 bonds (distance) P-C4' energy: -166.561 flat angles C4'-P-C4' energy: -182.392 flat angles P-C4'-P energy: -131.530 tors. eta vs tors. theta energy: -265.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -2927.121982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2927.121982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2927.121982 (E_RNA) where: Base-Base interactions energy: -2053.372 where: short stacking energy: -826.320 Base-Backbone interact. energy: -6.268 local terms energy: -867.482088 where: bonds (distance) C4'-P energy: -157.517 bonds (distance) P-C4' energy: -166.566 flat angles C4'-P-C4' energy: -185.988 flat angles P-C4'-P energy: -120.168 tors. eta vs tors. theta energy: -237.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -2769.664772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.664772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.664772 (E_RNA) where: Base-Base interactions energy: -1915.695 where: short stacking energy: -816.720 Base-Backbone interact. energy: 0.976 local terms energy: -854.946155 where: bonds (distance) C4'-P energy: -163.079 bonds (distance) P-C4' energy: -160.965 flat angles C4'-P-C4' energy: -182.891 flat angles P-C4'-P energy: -128.999 tors. eta vs tors. theta energy: -219.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -2522.997005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.997005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.997005 (E_RNA) where: Base-Base interactions energy: -1752.175 where: short stacking energy: -734.424 Base-Backbone interact. energy: -0.922 local terms energy: -769.900505 where: bonds (distance) C4'-P energy: -146.422 bonds (distance) P-C4' energy: -145.233 flat angles C4'-P-C4' energy: -177.434 flat angles P-C4'-P energy: -117.796 tors. eta vs tors. theta energy: -183.015 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: 7, replica: 3 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -2462.646827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.646827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.646827 (E_RNA) where: Base-Base interactions energy: -1675.498 where: short stacking energy: -738.699 Base-Backbone interact. energy: 0.992 local terms energy: -788.140362 where: bonds (distance) C4'-P energy: -161.599 bonds (distance) P-C4' energy: -147.602 flat angles C4'-P-C4' energy: -184.067 flat angles P-C4'-P energy: -104.085 tors. eta vs tors. theta energy: -190.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -2017.619028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.619028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.619028 (E_RNA) where: Base-Base interactions energy: -1355.499 where: short stacking energy: -598.630 Base-Backbone interact. energy: -1.500 local terms energy: -660.619756 where: bonds (distance) C4'-P energy: -143.870 bonds (distance) P-C4' energy: -161.961 flat angles C4'-P-C4' energy: -158.308 flat angles P-C4'-P energy: -73.178 tors. eta vs tors. theta energy: -123.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -1760.254996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.254996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.254996 (E_RNA) where: Base-Base interactions energy: -1183.414 where: short stacking energy: -543.127 Base-Backbone interact. energy: -1.660 local terms energy: -575.181353 where: bonds (distance) C4'-P energy: -123.743 bonds (distance) P-C4' energy: -136.922 flat angles C4'-P-C4' energy: -138.897 flat angles P-C4'-P energy: -87.622 tors. eta vs tors. theta energy: -87.998 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: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -1162.458222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.458222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.458222 (E_RNA) where: Base-Base interactions energy: -647.210 where: short stacking energy: -302.749 Base-Backbone interact. energy: -1.389 local terms energy: -513.859084 where: bonds (distance) C4'-P energy: -136.857 bonds (distance) P-C4' energy: -136.332 flat angles C4'-P-C4' energy: -136.919 flat angles P-C4'-P energy: -87.321 tors. eta vs tors. theta energy: -16.430 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: 1, replica: 2 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -3279.475086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.475086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.475086 (E_RNA) where: Base-Base interactions energy: -2301.315 where: short stacking energy: -959.909 Base-Backbone interact. energy: -2.646 local terms energy: -975.514161 where: bonds (distance) C4'-P energy: -188.160 bonds (distance) P-C4' energy: -173.078 flat angles C4'-P-C4' energy: -205.066 flat angles P-C4'-P energy: -138.507 tors. eta vs tors. theta energy: -270.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -3153.189713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.189713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.189713 (E_RNA) where: Base-Base interactions energy: -2215.450 where: short stacking energy: -935.185 Base-Backbone interact. energy: 6.947 local terms energy: -944.686826 where: bonds (distance) C4'-P energy: -178.261 bonds (distance) P-C4' energy: -181.864 flat angles C4'-P-C4' energy: -186.986 flat angles P-C4'-P energy: -131.827 tors. eta vs tors. theta energy: -265.749 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: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -3067.412030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.412030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.412030 (E_RNA) where: Base-Base interactions energy: -2149.142 where: short stacking energy: -937.766 Base-Backbone interact. energy: -3.046 local terms energy: -915.224145 where: bonds (distance) C4'-P energy: -162.323 bonds (distance) P-C4' energy: -141.768 flat angles C4'-P-C4' energy: -196.219 flat angles P-C4'-P energy: -134.495 tors. eta vs tors. theta energy: -280.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -2879.171009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2879.171009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2879.171009 (E_RNA) where: Base-Base interactions energy: -2030.307 where: short stacking energy: -849.745 Base-Backbone interact. energy: -3.412 local terms energy: -845.452861 where: bonds (distance) C4'-P energy: -156.800 bonds (distance) P-C4' energy: -167.034 flat angles C4'-P-C4' energy: -161.936 flat angles P-C4'-P energy: -133.151 tors. eta vs tors. theta energy: -226.531 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: 7 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -2813.215858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.215858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.215858 (E_RNA) where: Base-Base interactions energy: -1948.401 where: short stacking energy: -830.769 Base-Backbone interact. energy: -2.130 local terms energy: -862.685286 where: bonds (distance) C4'-P energy: -150.077 bonds (distance) P-C4' energy: -181.505 flat angles C4'-P-C4' energy: -171.919 flat angles P-C4'-P energy: -123.220 tors. eta vs tors. theta energy: -235.964 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: 4 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -2558.859729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2558.859729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2558.859729 (E_RNA) where: Base-Base interactions energy: -1757.764 where: short stacking energy: -739.594 Base-Backbone interact. energy: 8.945 local terms energy: -810.040518 where: bonds (distance) C4'-P energy: -167.596 bonds (distance) P-C4' energy: -160.770 flat angles C4'-P-C4' energy: -174.688 flat angles P-C4'-P energy: -115.877 tors. eta vs tors. theta energy: -191.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -2442.934311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2442.934311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2442.934311 (E_RNA) where: Base-Base interactions energy: -1697.376 where: short stacking energy: -744.361 Base-Backbone interact. energy: -0.463 local terms energy: -745.095578 where: bonds (distance) C4'-P energy: -147.058 bonds (distance) P-C4' energy: -159.198 flat angles C4'-P-C4' energy: -160.237 flat angles P-C4'-P energy: -95.888 tors. eta vs tors. theta energy: -182.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -2030.879587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.879587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.879587 (E_RNA) where: Base-Base interactions energy: -1350.299 where: short stacking energy: -579.119 Base-Backbone interact. energy: 3.083 local terms energy: -683.663738 where: bonds (distance) C4'-P energy: -138.889 bonds (distance) P-C4' energy: -139.082 flat angles C4'-P-C4' energy: -176.321 flat angles P-C4'-P energy: -98.576 tors. eta vs tors. theta energy: -130.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -1737.773905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.773905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.773905 (E_RNA) where: Base-Base interactions energy: -1136.818 where: short stacking energy: -495.125 Base-Backbone interact. energy: 2.241 local terms energy: -603.196810 where: bonds (distance) C4'-P energy: -121.961 bonds (distance) P-C4' energy: -133.858 flat angles C4'-P-C4' energy: -158.988 flat angles P-C4'-P energy: -92.578 tors. eta vs tors. theta energy: -95.811 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: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -1165.623267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.623267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.623267 (E_RNA) where: Base-Base interactions energy: -657.476 where: short stacking energy: -351.204 Base-Backbone interact. energy: 3.202 local terms energy: -511.349392 where: bonds (distance) C4'-P energy: -152.618 bonds (distance) P-C4' energy: -142.908 flat angles C4'-P-C4' energy: -128.986 flat angles P-C4'-P energy: -74.294 tors. eta vs tors. theta energy: -12.543 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: 1, replica: 2 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -3266.947145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3266.947145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3266.947145 (E_RNA) where: Base-Base interactions energy: -2255.555 where: short stacking energy: -974.552 Base-Backbone interact. energy: -3.484 local terms energy: -1007.908485 where: bonds (distance) C4'-P energy: -180.102 bonds (distance) P-C4' energy: -187.118 flat angles C4'-P-C4' energy: -209.881 flat angles P-C4'-P energy: -159.579 tors. eta vs tors. theta energy: -271.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -3157.604371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3157.604371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3157.604371 (E_RNA) where: Base-Base interactions energy: -2216.514 where: short stacking energy: -944.533 Base-Backbone interact. energy: -3.803 local terms energy: -937.287971 where: bonds (distance) C4'-P energy: -175.784 bonds (distance) P-C4' energy: -158.651 flat angles C4'-P-C4' energy: -203.461 flat angles P-C4'-P energy: -139.998 tors. eta vs tors. theta energy: -259.394 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: 1 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -3046.744398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3046.744398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3046.744398 (E_RNA) where: Base-Base interactions energy: -2108.195 where: short stacking energy: -882.407 Base-Backbone interact. energy: -0.839 local terms energy: -937.710266 where: bonds (distance) C4'-P energy: -170.825 bonds (distance) P-C4' energy: -163.053 flat angles C4'-P-C4' energy: -206.469 flat angles P-C4'-P energy: -132.654 tors. eta vs tors. theta energy: -264.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -2862.953911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.953911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.953911 (E_RNA) where: Base-Base interactions energy: -2006.801 where: short stacking energy: -833.054 Base-Backbone interact. energy: -2.495 local terms energy: -853.657997 where: bonds (distance) C4'-P energy: -154.343 bonds (distance) P-C4' energy: -164.796 flat angles C4'-P-C4' energy: -198.548 flat angles P-C4'-P energy: -118.342 tors. eta vs tors. theta energy: -217.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -2791.110760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2791.110760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2791.110760 (E_RNA) where: Base-Base interactions energy: -1887.649 where: short stacking energy: -823.004 Base-Backbone interact. energy: -0.038 local terms energy: -903.424119 where: bonds (distance) C4'-P energy: -159.526 bonds (distance) P-C4' energy: -181.085 flat angles C4'-P-C4' energy: -189.461 flat angles P-C4'-P energy: -124.256 tors. eta vs tors. theta energy: -249.097 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: 4 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -2508.499841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2508.499841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2508.499841 (E_RNA) where: Base-Base interactions energy: -1750.760 where: short stacking energy: -734.248 Base-Backbone interact. energy: -5.405 local terms energy: -752.335157 where: bonds (distance) C4'-P energy: -132.599 bonds (distance) P-C4' energy: -153.260 flat angles C4'-P-C4' energy: -171.440 flat angles P-C4'-P energy: -106.498 tors. eta vs tors. theta energy: -188.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -2391.357091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2391.357091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2391.357091 (E_RNA) where: Base-Base interactions energy: -1617.385 where: short stacking energy: -701.731 Base-Backbone interact. energy: -0.076 local terms energy: -773.895553 where: bonds (distance) C4'-P energy: -152.893 bonds (distance) P-C4' energy: -162.161 flat angles C4'-P-C4' energy: -165.039 flat angles P-C4'-P energy: -111.878 tors. eta vs tors. theta energy: -181.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -2045.546558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2045.546558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2045.546558 (E_RNA) where: Base-Base interactions energy: -1375.840 where: short stacking energy: -594.740 Base-Backbone interact. energy: 3.084 local terms energy: -672.790048 where: bonds (distance) C4'-P energy: -155.644 bonds (distance) P-C4' energy: -153.545 flat angles C4'-P-C4' energy: -155.327 flat angles P-C4'-P energy: -93.379 tors. eta vs tors. theta energy: -114.895 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: 5 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -1751.032453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.032453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.032453 (E_RNA) where: Base-Base interactions energy: -1175.134 where: short stacking energy: -529.448 Base-Backbone interact. energy: -1.426 local terms energy: -574.472369 where: bonds (distance) C4'-P energy: -133.528 bonds (distance) P-C4' energy: -125.890 flat angles C4'-P-C4' energy: -130.814 flat angles P-C4'-P energy: -88.423 tors. eta vs tors. theta energy: -95.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -1202.984302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.984302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.984302 (E_RNA) where: Base-Base interactions energy: -674.990 where: short stacking energy: -312.167 Base-Backbone interact. energy: 8.293 local terms energy: -536.287440 where: bonds (distance) C4'-P energy: -162.939 bonds (distance) P-C4' energy: -137.892 flat angles C4'-P-C4' energy: -121.314 flat angles P-C4'-P energy: -95.598 tors. eta vs tors. theta energy: -18.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -3264.289961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.289961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.289961 (E_RNA) where: Base-Base interactions energy: -2272.258 where: short stacking energy: -966.520 Base-Backbone interact. energy: -2.824 local terms energy: -989.207449 where: bonds (distance) C4'-P energy: -188.584 bonds (distance) P-C4' energy: -182.515 flat angles C4'-P-C4' energy: -201.433 flat angles P-C4'-P energy: -138.968 tors. eta vs tors. theta energy: -277.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -3149.290140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3149.290140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3149.290140 (E_RNA) where: Base-Base interactions energy: -2197.280 where: short stacking energy: -906.918 Base-Backbone interact. energy: -1.086 local terms energy: -950.924913 where: bonds (distance) C4'-P energy: -187.548 bonds (distance) P-C4' energy: -163.721 flat angles C4'-P-C4' energy: -205.135 flat angles P-C4'-P energy: -137.651 tors. eta vs tors. theta energy: -256.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -3057.446323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.446323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.446323 (E_RNA) where: Base-Base interactions energy: -2128.518 where: short stacking energy: -906.724 Base-Backbone interact. energy: -2.902 local terms energy: -926.025758 where: bonds (distance) C4'-P energy: -161.575 bonds (distance) P-C4' energy: -161.432 flat angles C4'-P-C4' energy: -207.653 flat angles P-C4'-P energy: -138.780 tors. eta vs tors. theta energy: -256.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -2936.228280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2936.228280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2936.228280 (E_RNA) where: Base-Base interactions energy: -2075.368 where: short stacking energy: -889.194 Base-Backbone interact. energy: -3.127 local terms energy: -857.733523 where: bonds (distance) C4'-P energy: -143.343 bonds (distance) P-C4' energy: -156.881 flat angles C4'-P-C4' energy: -191.291 flat angles P-C4'-P energy: -118.492 tors. eta vs tors. theta energy: -247.726 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: 7 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -2833.943150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.943150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.943150 (E_RNA) where: Base-Base interactions energy: -1986.329 where: short stacking energy: -859.893 Base-Backbone interact. energy: -2.626 local terms energy: -844.987930 where: bonds (distance) C4'-P energy: -139.088 bonds (distance) P-C4' energy: -146.604 flat angles C4'-P-C4' energy: -192.974 flat angles P-C4'-P energy: -120.661 tors. eta vs tors. theta energy: -245.661 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: 6, replica: 4 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -2488.301387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2488.301387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2488.301387 (E_RNA) where: Base-Base interactions energy: -1702.170 where: short stacking energy: -680.867 Base-Backbone interact. energy: -1.015 local terms energy: -785.115959 where: bonds (distance) C4'-P energy: -149.404 bonds (distance) P-C4' energy: -148.774 flat angles C4'-P-C4' energy: -188.391 flat angles P-C4'-P energy: -110.612 tors. eta vs tors. theta energy: -187.936 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: 3 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -2383.373768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.373768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.373768 (E_RNA) where: Base-Base interactions energy: -1629.815 where: short stacking energy: -703.362 Base-Backbone interact. energy: -0.964 local terms energy: -752.594961 where: bonds (distance) C4'-P energy: -156.170 bonds (distance) P-C4' energy: -144.619 flat angles C4'-P-C4' energy: -168.360 flat angles P-C4'-P energy: -91.872 tors. eta vs tors. theta energy: -191.574 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: 9 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -2000.940711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2000.940711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2000.940711 (E_RNA) where: Base-Base interactions energy: -1335.906 where: short stacking energy: -574.033 Base-Backbone interact. energy: -6.987 local terms energy: -658.047961 where: bonds (distance) C4'-P energy: -120.886 bonds (distance) P-C4' energy: -152.510 flat angles C4'-P-C4' energy: -171.680 flat angles P-C4'-P energy: -96.980 tors. eta vs tors. theta energy: -115.992 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: 5 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -1743.317987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.317987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.317987 (E_RNA) where: Base-Base interactions energy: -1133.971 where: short stacking energy: -525.314 Base-Backbone interact. energy: 2.075 local terms energy: -611.421724 where: bonds (distance) C4'-P energy: -143.163 bonds (distance) P-C4' energy: -136.744 flat angles C4'-P-C4' energy: -134.616 flat angles P-C4'-P energy: -98.033 tors. eta vs tors. theta energy: -98.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -1323.969345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.969345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.969345 (E_RNA) where: Base-Base interactions energy: -817.913 where: short stacking energy: -383.676 Base-Backbone interact. energy: 0.352 local terms energy: -506.408290 where: bonds (distance) C4'-P energy: -129.749 bonds (distance) P-C4' energy: -143.697 flat angles C4'-P-C4' energy: -130.538 flat angles P-C4'-P energy: -69.578 tors. eta vs tors. theta energy: -32.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -3264.094893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.094893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.094893 (E_RNA) where: Base-Base interactions energy: -2299.554 where: short stacking energy: -963.794 Base-Backbone interact. energy: -4.617 local terms energy: -959.923554 where: bonds (distance) C4'-P energy: -186.992 bonds (distance) P-C4' energy: -157.476 flat angles C4'-P-C4' energy: -202.032 flat angles P-C4'-P energy: -145.125 tors. eta vs tors. theta energy: -268.298 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: 2, replica: 6 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -3126.715865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3126.715865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3126.715865 (E_RNA) where: Base-Base interactions energy: -2194.491 where: short stacking energy: -919.211 Base-Backbone interact. energy: -6.021 local terms energy: -926.204319 where: bonds (distance) C4'-P energy: -175.180 bonds (distance) P-C4' energy: -186.030 flat angles C4'-P-C4' energy: -188.045 flat angles P-C4'-P energy: -123.839 tors. eta vs tors. theta energy: -253.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -3035.313561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.313561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.313561 (E_RNA) where: Base-Base interactions energy: -2124.809 where: short stacking energy: -907.299 Base-Backbone interact. energy: -1.985 local terms energy: -908.519461 where: bonds (distance) C4'-P energy: -146.367 bonds (distance) P-C4' energy: -176.792 flat angles C4'-P-C4' energy: -188.118 flat angles P-C4'-P energy: -132.968 tors. eta vs tors. theta energy: -264.275 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: 8 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -2937.502580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.502580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.502580 (E_RNA) where: Base-Base interactions energy: -2043.999 where: short stacking energy: -826.733 Base-Backbone interact. energy: -0.961 local terms energy: -892.542037 where: bonds (distance) C4'-P energy: -163.333 bonds (distance) P-C4' energy: -168.088 flat angles C4'-P-C4' energy: -194.260 flat angles P-C4'-P energy: -129.437 tors. eta vs tors. theta energy: -237.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -2815.636314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2815.636314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2815.636314 (E_RNA) where: Base-Base interactions energy: -1929.521 where: short stacking energy: -817.407 Base-Backbone interact. energy: 0.646 local terms energy: -886.761507 where: bonds (distance) C4'-P energy: -156.625 bonds (distance) P-C4' energy: -165.333 flat angles C4'-P-C4' energy: -194.820 flat angles P-C4'-P energy: -124.931 tors. eta vs tors. theta energy: -245.052 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: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -2579.665949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2579.665949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2579.665949 (E_RNA) where: Base-Base interactions energy: -1792.842 where: short stacking energy: -756.268 Base-Backbone interact. energy: -5.000 local terms energy: -781.823353 where: bonds (distance) C4'-P energy: -152.055 bonds (distance) P-C4' energy: -153.104 flat angles C4'-P-C4' energy: -185.639 flat angles P-C4'-P energy: -91.713 tors. eta vs tors. theta energy: -199.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -2416.552319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2416.552319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2416.552319 (E_RNA) where: Base-Base interactions energy: -1653.956 where: short stacking energy: -724.216 Base-Backbone interact. energy: 1.438 local terms energy: -764.034472 where: bonds (distance) C4'-P energy: -152.484 bonds (distance) P-C4' energy: -130.604 flat angles C4'-P-C4' energy: -181.414 flat angles P-C4'-P energy: -115.924 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: 8, replica: 9 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1959.556647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.556647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.556647 (E_RNA) where: Base-Base interactions energy: -1325.233 where: short stacking energy: -591.955 Base-Backbone interact. energy: 3.940 local terms energy: -638.263812 where: bonds (distance) C4'-P energy: -121.510 bonds (distance) P-C4' energy: -159.733 flat angles C4'-P-C4' energy: -149.162 flat angles P-C4'-P energy: -79.388 tors. eta vs tors. theta energy: -128.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -1723.400851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.400851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.400851 (E_RNA) where: Base-Base interactions energy: -1115.448 where: short stacking energy: -489.328 Base-Backbone interact. energy: -0.498 local terms energy: -607.455151 where: bonds (distance) C4'-P energy: -153.643 bonds (distance) P-C4' energy: -133.851 flat angles C4'-P-C4' energy: -155.759 flat angles P-C4'-P energy: -78.885 tors. eta vs tors. theta energy: -85.317 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: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -1307.238635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.238635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.238635 (E_RNA) where: Base-Base interactions energy: -806.452 where: short stacking energy: -394.201 Base-Backbone interact. energy: -0.144 local terms energy: -500.642223 where: bonds (distance) C4'-P energy: -125.134 bonds (distance) P-C4' energy: -143.289 flat angles C4'-P-C4' energy: -124.140 flat angles P-C4'-P energy: -83.368 tors. eta vs tors. theta energy: -24.712 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: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -3303.203292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3303.203292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3303.203292 (E_RNA) where: Base-Base interactions energy: -2335.925 where: short stacking energy: -982.089 Base-Backbone interact. energy: -2.567 local terms energy: -964.711408 where: bonds (distance) C4'-P energy: -180.592 bonds (distance) P-C4' energy: -168.364 flat angles C4'-P-C4' energy: -209.445 flat angles P-C4'-P energy: -134.354 tors. eta vs tors. theta energy: -271.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -3151.348957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3151.348957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3151.348957 (E_RNA) where: Base-Base interactions energy: -2223.422 where: short stacking energy: -937.867 Base-Backbone interact. energy: -5.786 local terms energy: -922.141424 where: bonds (distance) C4'-P energy: -157.043 bonds (distance) P-C4' energy: -174.105 flat angles C4'-P-C4' energy: -196.886 flat angles P-C4'-P energy: -127.858 tors. eta vs tors. theta energy: -266.249 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: 3, replica: 1 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -3056.619867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.619867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.619867 (E_RNA) where: Base-Base interactions energy: -2135.217 where: short stacking energy: -904.778 Base-Backbone interact. energy: -1.544 local terms energy: -919.859563 where: bonds (distance) C4'-P energy: -159.759 bonds (distance) P-C4' energy: -161.120 flat angles C4'-P-C4' energy: -210.335 flat angles P-C4'-P energy: -126.666 tors. eta vs tors. theta energy: -261.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -2963.065143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2963.065143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2963.065143 (E_RNA) where: Base-Base interactions energy: -2043.477 where: short stacking energy: -834.750 Base-Backbone interact. energy: -3.842 local terms energy: -915.746366 where: bonds (distance) C4'-P energy: -166.785 bonds (distance) P-C4' energy: -174.947 flat angles C4'-P-C4' energy: -203.374 flat angles P-C4'-P energy: -126.952 tors. eta vs tors. theta energy: -243.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -2809.845331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.845331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.845331 (E_RNA) where: Base-Base interactions energy: -1972.906 where: short stacking energy: -824.376 Base-Backbone interact. energy: 4.200 local terms energy: -841.138421 where: bonds (distance) C4'-P energy: -139.974 bonds (distance) P-C4' energy: -168.068 flat angles C4'-P-C4' energy: -185.237 flat angles P-C4'-P energy: -115.916 tors. eta vs tors. theta energy: -231.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -2603.234906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2603.234906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2603.234906 (E_RNA) where: Base-Base interactions energy: -1808.459 where: short stacking energy: -769.299 Base-Backbone interact. energy: -4.302 local terms energy: -790.474564 where: bonds (distance) C4'-P energy: -138.409 bonds (distance) P-C4' energy: -152.777 flat angles C4'-P-C4' energy: -172.620 flat angles P-C4'-P energy: -118.178 tors. eta vs tors. theta energy: -208.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -2425.587471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.587471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.587471 (E_RNA) where: Base-Base interactions energy: -1614.961 where: short stacking energy: -716.637 Base-Backbone interact. energy: -4.999 local terms energy: -805.628061 where: bonds (distance) C4'-P energy: -169.502 bonds (distance) P-C4' energy: -168.689 flat angles C4'-P-C4' energy: -175.494 flat angles P-C4'-P energy: -96.839 tors. eta vs tors. theta energy: -195.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -2058.470565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2058.470565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2058.470565 (E_RNA) where: Base-Base interactions energy: -1375.763 where: short stacking energy: -612.032 Base-Backbone interact. energy: -1.606 local terms energy: -681.101108 where: bonds (distance) C4'-P energy: -156.600 bonds (distance) P-C4' energy: -156.223 flat angles C4'-P-C4' energy: -163.060 flat angles P-C4'-P energy: -81.234 tors. eta vs tors. theta energy: -123.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -1790.876051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.876051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.876051 (E_RNA) where: Base-Base interactions energy: -1184.704 where: short stacking energy: -528.926 Base-Backbone interact. energy: 3.130 local terms energy: -609.301933 where: bonds (distance) C4'-P energy: -125.671 bonds (distance) P-C4' energy: -139.122 flat angles C4'-P-C4' energy: -136.264 flat angles P-C4'-P energy: -97.312 tors. eta vs tors. theta energy: -110.933 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: 10 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -1257.879238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.879238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.879238 (E_RNA) where: Base-Base interactions energy: -800.018 where: short stacking energy: -369.439 Base-Backbone interact. energy: -2.260 local terms energy: -455.600561 where: bonds (distance) C4'-P energy: -126.599 bonds (distance) P-C4' energy: -151.528 flat angles C4'-P-C4' energy: -108.017 flat angles P-C4'-P energy: -58.634 tors. eta vs tors. theta energy: -10.822 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: 1, replica: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -3309.687809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3309.687809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3309.687809 (E_RNA) where: Base-Base interactions energy: -2331.002 where: short stacking energy: -983.958 Base-Backbone interact. energy: -4.473 local terms energy: -974.212835 where: bonds (distance) C4'-P energy: -178.389 bonds (distance) P-C4' energy: -178.596 flat angles C4'-P-C4' energy: -209.662 flat angles P-C4'-P energy: -128.618 tors. eta vs tors. theta energy: -278.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -3168.066338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3168.066338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3168.066338 (E_RNA) where: Base-Base interactions energy: -2213.235 where: short stacking energy: -954.685 Base-Backbone interact. energy: -3.206 local terms energy: -951.624623 where: bonds (distance) C4'-P energy: -187.563 bonds (distance) P-C4' energy: -172.190 flat angles C4'-P-C4' energy: -203.527 flat angles P-C4'-P energy: -121.637 tors. eta vs tors. theta energy: -266.707 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: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -3048.784639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3048.784639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3048.784639 (E_RNA) where: Base-Base interactions energy: -2114.086 where: short stacking energy: -910.594 Base-Backbone interact. energy: 0.817 local terms energy: -935.515367 where: bonds (distance) C4'-P energy: -174.237 bonds (distance) P-C4' energy: -182.408 flat angles C4'-P-C4' energy: -189.700 flat angles P-C4'-P energy: -139.787 tors. eta vs tors. theta energy: -249.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -2902.002759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.002759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.002759 (E_RNA) where: Base-Base interactions energy: -2036.372 where: short stacking energy: -818.510 Base-Backbone interact. energy: 0.563 local terms energy: -866.193821 where: bonds (distance) C4'-P energy: -146.137 bonds (distance) P-C4' energy: -179.476 flat angles C4'-P-C4' energy: -194.543 flat angles P-C4'-P energy: -121.814 tors. eta vs tors. theta energy: -224.223 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: 7 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -2776.723525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2776.723525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2776.723525 (E_RNA) where: Base-Base interactions energy: -1931.148 where: short stacking energy: -817.021 Base-Backbone interact. energy: 3.792 local terms energy: -849.368082 where: bonds (distance) C4'-P energy: -162.036 bonds (distance) P-C4' energy: -161.995 flat angles C4'-P-C4' energy: -184.026 flat angles P-C4'-P energy: -116.303 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: 6, replica: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -2627.434700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2627.434700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2627.434700 (E_RNA) where: Base-Base interactions energy: -1828.530 where: short stacking energy: -776.514 Base-Backbone interact. energy: -2.675 local terms energy: -796.229589 where: bonds (distance) C4'-P energy: -161.662 bonds (distance) P-C4' energy: -150.780 flat angles C4'-P-C4' energy: -168.025 flat angles P-C4'-P energy: -115.542 tors. eta vs tors. theta energy: -200.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -2470.188775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2470.188775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2470.188775 (E_RNA) where: Base-Base interactions energy: -1680.538 where: short stacking energy: -737.598 Base-Backbone interact. energy: -1.076 local terms energy: -788.575311 where: bonds (distance) C4'-P energy: -147.516 bonds (distance) P-C4' energy: -165.308 flat angles C4'-P-C4' energy: -175.870 flat angles P-C4'-P energy: -114.956 tors. eta vs tors. theta energy: -184.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -2049.503384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2049.503384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2049.503384 (E_RNA) where: Base-Base interactions energy: -1375.499 where: short stacking energy: -611.122 Base-Backbone interact. energy: 0.472 local terms energy: -674.475721 where: bonds (distance) C4'-P energy: -133.672 bonds (distance) P-C4' energy: -157.828 flat angles C4'-P-C4' energy: -156.947 flat angles P-C4'-P energy: -96.035 tors. eta vs tors. theta energy: -129.994 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: 5 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -1731.135195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.135195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.135195 (E_RNA) where: Base-Base interactions energy: -1153.752 where: short stacking energy: -483.545 Base-Backbone interact. energy: 8.325 local terms energy: -585.708169 where: bonds (distance) C4'-P energy: -130.016 bonds (distance) P-C4' energy: -148.025 flat angles C4'-P-C4' energy: -156.053 flat angles P-C4'-P energy: -75.918 tors. eta vs tors. theta energy: -75.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -1314.439237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.439237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.439237 (E_RNA) where: Base-Base interactions energy: -812.810 where: short stacking energy: -388.433 Base-Backbone interact. energy: 0.804 local terms energy: -502.433935 where: bonds (distance) C4'-P energy: -130.411 bonds (distance) P-C4' energy: -138.691 flat angles C4'-P-C4' energy: -106.460 flat angles P-C4'-P energy: -87.784 tors. eta vs tors. theta energy: -39.088 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: 392 Temperature: 0.900000 Total energy: -3279.417491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.417491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.417491 (E_RNA) where: Base-Base interactions energy: -2289.744 where: short stacking energy: -971.413 Base-Backbone interact. energy: -5.922 local terms energy: -983.751398 where: bonds (distance) C4'-P energy: -167.597 bonds (distance) P-C4' energy: -189.276 flat angles C4'-P-C4' energy: -209.331 flat angles P-C4'-P energy: -132.816 tors. eta vs tors. theta energy: -284.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -3169.803280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3169.803280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3169.803280 (E_RNA) where: Base-Base interactions energy: -2229.168 where: short stacking energy: -944.604 Base-Backbone interact. energy: 2.127 local terms energy: -942.762505 where: bonds (distance) C4'-P energy: -169.648 bonds (distance) P-C4' energy: -179.556 flat angles C4'-P-C4' energy: -208.123 flat angles P-C4'-P energy: -132.719 tors. eta vs tors. theta energy: -252.716 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: 3, replica: 1 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -3017.760180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3017.760180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3017.760180 (E_RNA) where: Base-Base interactions energy: -2105.786 where: short stacking energy: -883.268 Base-Backbone interact. energy: -5.397 local terms energy: -906.577337 where: bonds (distance) C4'-P energy: -176.825 bonds (distance) P-C4' energy: -174.223 flat angles C4'-P-C4' energy: -194.441 flat angles P-C4'-P energy: -109.416 tors. eta vs tors. theta energy: -251.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -2906.503302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.503302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.503302 (E_RNA) where: Base-Base interactions energy: -2014.882 where: short stacking energy: -850.524 Base-Backbone interact. energy: -0.144 local terms energy: -891.477788 where: bonds (distance) C4'-P energy: -143.145 bonds (distance) P-C4' energy: -176.097 flat angles C4'-P-C4' energy: -191.387 flat angles P-C4'-P energy: -133.926 tors. eta vs tors. theta energy: -246.923 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: 7 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -2774.036085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.036085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.036085 (E_RNA) where: Base-Base interactions energy: -1948.639 where: short stacking energy: -814.327 Base-Backbone interact. energy: -2.731 local terms energy: -822.666028 where: bonds (distance) C4'-P energy: -153.296 bonds (distance) P-C4' energy: -142.248 flat angles C4'-P-C4' energy: -181.193 flat angles P-C4'-P energy: -120.132 tors. eta vs tors. theta energy: -225.798 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: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -2557.204420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.204420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.204420 (E_RNA) where: Base-Base interactions energy: -1777.991 where: short stacking energy: -711.439 Base-Backbone interact. energy: 4.538 local terms energy: -783.750771 where: bonds (distance) C4'-P energy: -151.854 bonds (distance) P-C4' energy: -167.652 flat angles C4'-P-C4' energy: -183.776 flat angles P-C4'-P energy: -95.191 tors. eta vs tors. theta energy: -185.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -2455.016075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2455.016075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2455.016075 (E_RNA) where: Base-Base interactions energy: -1693.254 where: short stacking energy: -714.414 Base-Backbone interact. energy: -0.637 local terms energy: -761.124637 where: bonds (distance) C4'-P energy: -125.061 bonds (distance) P-C4' energy: -147.152 flat angles C4'-P-C4' energy: -177.794 flat angles P-C4'-P energy: -114.220 tors. eta vs tors. theta energy: -196.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1988.485487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.485487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.485487 (E_RNA) where: Base-Base interactions energy: -1377.852 where: short stacking energy: -561.189 Base-Backbone interact. energy: 1.348 local terms energy: -611.981225 where: bonds (distance) C4'-P energy: -143.760 bonds (distance) P-C4' energy: -106.682 flat angles C4'-P-C4' energy: -147.968 flat angles P-C4'-P energy: -96.967 tors. eta vs tors. theta energy: -116.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -1723.024215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.024215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.024215 (E_RNA) where: Base-Base interactions energy: -1135.986 where: short stacking energy: -531.142 Base-Backbone interact. energy: 0.471 local terms energy: -587.508559 where: bonds (distance) C4'-P energy: -133.881 bonds (distance) P-C4' energy: -134.118 flat angles C4'-P-C4' energy: -144.458 flat angles P-C4'-P energy: -84.640 tors. eta vs tors. theta energy: -90.412 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: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -1282.161353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.161353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.161353 (E_RNA) where: Base-Base interactions energy: -792.354 where: short stacking energy: -375.141 Base-Backbone interact. energy: 2.298 local terms energy: -492.105240 where: bonds (distance) C4'-P energy: -133.588 bonds (distance) P-C4' energy: -134.287 flat angles C4'-P-C4' energy: -121.987 flat angles P-C4'-P energy: -68.755 tors. eta vs tors. theta energy: -33.488 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: 2 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -3263.643940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3263.643940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3263.643940 (E_RNA) where: Base-Base interactions energy: -2304.884 where: short stacking energy: -953.366 Base-Backbone interact. energy: -1.753 local terms energy: -957.006633 where: bonds (distance) C4'-P energy: -176.821 bonds (distance) P-C4' energy: -179.375 flat angles C4'-P-C4' energy: -215.695 flat angles P-C4'-P energy: -124.654 tors. eta vs tors. theta energy: -260.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -3192.779092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3192.779092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3192.779092 (E_RNA) where: Base-Base interactions energy: -2224.743 where: short stacking energy: -926.656 Base-Backbone interact. energy: -2.105 local terms energy: -965.931143 where: bonds (distance) C4'-P energy: -162.536 bonds (distance) P-C4' energy: -183.044 flat angles C4'-P-C4' energy: -204.563 flat angles P-C4'-P energy: -145.082 tors. eta vs tors. theta energy: -270.707 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: 3, replica: 1 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -3013.340795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3013.340795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3013.340795 (E_RNA) where: Base-Base interactions energy: -2079.821 where: short stacking energy: -884.095 Base-Backbone interact. energy: -0.139 local terms energy: -933.380720 where: bonds (distance) C4'-P energy: -176.902 bonds (distance) P-C4' energy: -181.276 flat angles C4'-P-C4' energy: -193.533 flat angles P-C4'-P energy: -133.798 tors. eta vs tors. theta energy: -247.872 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: 8 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -2877.298559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2877.298559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2877.298559 (E_RNA) where: Base-Base interactions energy: -2000.886 where: short stacking energy: -844.677 Base-Backbone interact. energy: -6.591 local terms energy: -869.822500 where: bonds (distance) C4'-P energy: -149.529 bonds (distance) P-C4' energy: -162.515 flat angles C4'-P-C4' energy: -187.462 flat angles P-C4'-P energy: -125.380 tors. eta vs tors. theta energy: -244.937 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: 5, replica: 7 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -2781.285259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.285259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.285259 (E_RNA) where: Base-Base interactions energy: -1930.672 where: short stacking energy: -795.666 Base-Backbone interact. energy: -4.277 local terms energy: -846.336384 where: bonds (distance) C4'-P energy: -160.601 bonds (distance) P-C4' energy: -158.065 flat angles C4'-P-C4' energy: -188.513 flat angles P-C4'-P energy: -117.477 tors. eta vs tors. theta energy: -221.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -2545.634250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2545.634250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2545.634250 (E_RNA) where: Base-Base interactions energy: -1760.531 where: short stacking energy: -731.533 Base-Backbone interact. energy: -2.044 local terms energy: -783.059203 where: bonds (distance) C4'-P energy: -150.390 bonds (distance) P-C4' energy: -148.132 flat angles C4'-P-C4' energy: -172.930 flat angles P-C4'-P energy: -115.546 tors. eta vs tors. theta energy: -196.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -2487.484144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.484144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.484144 (E_RNA) where: Base-Base interactions energy: -1717.065 where: short stacking energy: -741.290 Base-Backbone interact. energy: -2.807 local terms energy: -767.612595 where: bonds (distance) C4'-P energy: -142.118 bonds (distance) P-C4' energy: -147.451 flat angles C4'-P-C4' energy: -170.800 flat angles P-C4'-P energy: -103.520 tors. eta vs tors. theta energy: -203.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1992.923709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1992.923709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1992.923709 (E_RNA) where: Base-Base interactions energy: -1305.014 where: short stacking energy: -573.116 Base-Backbone interact. energy: -2.532 local terms energy: -685.377789 where: bonds (distance) C4'-P energy: -138.993 bonds (distance) P-C4' energy: -150.381 flat angles C4'-P-C4' energy: -151.653 flat angles P-C4'-P energy: -116.786 tors. eta vs tors. theta energy: -127.565 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: 5 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -1786.291536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.291536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.291536 (E_RNA) where: Base-Base interactions energy: -1153.221 where: short stacking energy: -522.343 Base-Backbone interact. energy: -1.008 local terms energy: -632.062826 where: bonds (distance) C4'-P energy: -157.170 bonds (distance) P-C4' energy: -168.020 flat angles C4'-P-C4' energy: -151.208 flat angles P-C4'-P energy: -53.276 tors. eta vs tors. theta energy: -102.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -1281.262166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.262166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.262166 (E_RNA) where: Base-Base interactions energy: -743.297 where: short stacking energy: -369.445 Base-Backbone interact. energy: -0.910 local terms energy: -537.054702 where: bonds (distance) C4'-P energy: -146.863 bonds (distance) P-C4' energy: -141.943 flat angles C4'-P-C4' energy: -130.992 flat angles P-C4'-P energy: -78.608 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: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -3277.616677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3277.616677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3277.616677 (E_RNA) where: Base-Base interactions energy: -2272.425 where: short stacking energy: -985.386 Base-Backbone interact. energy: -1.510 local terms energy: -1003.681658 where: bonds (distance) C4'-P energy: -184.961 bonds (distance) P-C4' energy: -184.246 flat angles C4'-P-C4' energy: -214.895 flat angles P-C4'-P energy: -134.106 tors. eta vs tors. theta energy: -285.474 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: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -3227.950112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.950112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.950112 (E_RNA) where: Base-Base interactions energy: -2286.178 where: short stacking energy: -932.157 Base-Backbone interact. energy: -0.854 local terms energy: -940.918141 where: bonds (distance) C4'-P energy: -173.460 bonds (distance) P-C4' energy: -174.118 flat angles C4'-P-C4' energy: -202.497 flat angles P-C4'-P energy: -129.263 tors. eta vs tors. theta energy: -261.580 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: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -3074.806394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3074.806394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3074.806394 (E_RNA) where: Base-Base interactions energy: -2178.240 where: short stacking energy: -916.852 Base-Backbone interact. energy: -4.681 local terms energy: -891.884803 where: bonds (distance) C4'-P energy: -165.642 bonds (distance) P-C4' energy: -172.683 flat angles C4'-P-C4' energy: -202.579 flat angles P-C4'-P energy: -98.366 tors. eta vs tors. theta energy: -252.615 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: 8 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -2873.424458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.424458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.424458 (E_RNA) where: Base-Base interactions energy: -1985.564 where: short stacking energy: -833.402 Base-Backbone interact. energy: -6.102 local terms energy: -881.757976 where: bonds (distance) C4'-P energy: -164.169 bonds (distance) P-C4' energy: -184.036 flat angles C4'-P-C4' energy: -180.835 flat angles P-C4'-P energy: -116.603 tors. eta vs tors. theta energy: -236.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -2757.609136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2757.609136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2757.609136 (E_RNA) where: Base-Base interactions energy: -1923.000 where: short stacking energy: -762.920 Base-Backbone interact. energy: -0.789 local terms energy: -833.819855 where: bonds (distance) C4'-P energy: -160.316 bonds (distance) P-C4' energy: -162.461 flat angles C4'-P-C4' energy: -193.831 flat angles P-C4'-P energy: -98.494 tors. eta vs tors. theta energy: -218.718 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: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -2540.275550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2540.275550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2540.275550 (E_RNA) where: Base-Base interactions energy: -1768.532 where: short stacking energy: -740.754 Base-Backbone interact. energy: -4.449 local terms energy: -767.294523 where: bonds (distance) C4'-P energy: -137.849 bonds (distance) P-C4' energy: -157.755 flat angles C4'-P-C4' energy: -161.325 flat angles P-C4'-P energy: -109.094 tors. eta vs tors. theta energy: -201.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -2494.847774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2494.847774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2494.847774 (E_RNA) where: Base-Base interactions energy: -1696.567 where: short stacking energy: -722.879 Base-Backbone interact. energy: -4.474 local terms energy: -793.807145 where: bonds (distance) C4'-P energy: -151.649 bonds (distance) P-C4' energy: -155.332 flat angles C4'-P-C4' energy: -167.437 flat angles P-C4'-P energy: -116.517 tors. eta vs tors. theta energy: -202.874 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: 9 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -2020.870424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2020.870424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2020.870424 (E_RNA) where: Base-Base interactions energy: -1342.625 where: short stacking energy: -570.775 Base-Backbone interact. energy: -3.726 local terms energy: -674.519587 where: bonds (distance) C4'-P energy: -150.477 bonds (distance) P-C4' energy: -160.031 flat angles C4'-P-C4' energy: -153.694 flat angles P-C4'-P energy: -90.990 tors. eta vs tors. theta energy: -119.327 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: 9, replica: 5 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -1826.842894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.842894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.842894 (E_RNA) where: Base-Base interactions energy: -1177.428 where: short stacking energy: -557.652 Base-Backbone interact. energy: -0.887 local terms energy: -648.527360 where: bonds (distance) C4'-P energy: -169.535 bonds (distance) P-C4' energy: -123.987 flat angles C4'-P-C4' energy: -157.068 flat angles P-C4'-P energy: -97.364 tors. eta vs tors. theta energy: -100.574 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: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -1332.782973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.782973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.782973 (E_RNA) where: Base-Base interactions energy: -809.951 where: short stacking energy: -384.364 Base-Backbone interact. energy: 9.650 local terms energy: -532.482441 where: bonds (distance) C4'-P energy: -123.697 bonds (distance) P-C4' energy: -166.166 flat angles C4'-P-C4' energy: -129.157 flat angles P-C4'-P energy: -83.817 tors. eta vs tors. theta energy: -29.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -3252.105459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.105459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.105459 (E_RNA) where: Base-Base interactions energy: -2274.160 where: short stacking energy: -960.413 Base-Backbone interact. energy: -4.485 local terms energy: -973.460832 where: bonds (distance) C4'-P energy: -182.082 bonds (distance) P-C4' energy: -180.178 flat angles C4'-P-C4' energy: -202.269 flat angles P-C4'-P energy: -131.792 tors. eta vs tors. theta energy: -277.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -3236.755854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3236.755854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3236.755854 (E_RNA) where: Base-Base interactions energy: -2256.168 where: short stacking energy: -927.539 Base-Backbone interact. energy: -2.214 local terms energy: -978.374480 where: bonds (distance) C4'-P energy: -180.762 bonds (distance) P-C4' energy: -175.109 flat angles C4'-P-C4' energy: -210.588 flat angles P-C4'-P energy: -145.414 tors. eta vs tors. theta energy: -266.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -3056.949909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.949909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.949909 (E_RNA) where: Base-Base interactions energy: -2154.807 where: short stacking energy: -905.720 Base-Backbone interact. energy: -0.048 local terms energy: -902.094527 where: bonds (distance) C4'-P energy: -166.373 bonds (distance) P-C4' energy: -177.199 flat angles C4'-P-C4' energy: -196.454 flat angles P-C4'-P energy: -118.268 tors. eta vs tors. theta energy: -243.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -2890.019269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2890.019269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2890.019269 (E_RNA) where: Base-Base interactions energy: -1986.249 where: short stacking energy: -843.995 Base-Backbone interact. energy: -6.142 local terms energy: -897.628343 where: bonds (distance) C4'-P energy: -169.583 bonds (distance) P-C4' energy: -162.029 flat angles C4'-P-C4' energy: -194.330 flat angles P-C4'-P energy: -125.866 tors. eta vs tors. theta energy: -245.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -2731.942854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2731.942854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2731.942854 (E_RNA) where: Base-Base interactions energy: -1899.589 where: short stacking energy: -776.913 Base-Backbone interact. energy: -4.626 local terms energy: -827.728234 where: bonds (distance) C4'-P energy: -144.859 bonds (distance) P-C4' energy: -161.067 flat angles C4'-P-C4' energy: -162.482 flat angles P-C4'-P energy: -131.531 tors. eta vs tors. theta energy: -227.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -2651.844671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.844671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.844671 (E_RNA) where: Base-Base interactions energy: -1845.965 where: short stacking energy: -789.589 Base-Backbone interact. energy: -0.972 local terms energy: -804.907389 where: bonds (distance) C4'-P energy: -143.027 bonds (distance) P-C4' energy: -150.908 flat angles C4'-P-C4' energy: -184.049 flat angles P-C4'-P energy: -112.301 tors. eta vs tors. theta energy: -214.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -2555.209042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2555.209042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2555.209042 (E_RNA) where: Base-Base interactions energy: -1755.390 where: short stacking energy: -743.143 Base-Backbone interact. energy: -1.808 local terms energy: -798.011241 where: bonds (distance) C4'-P energy: -145.064 bonds (distance) P-C4' energy: -161.051 flat angles C4'-P-C4' energy: -173.248 flat angles P-C4'-P energy: -107.140 tors. eta vs tors. theta energy: -211.508 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: 8, replica: 9 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1967.955994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1967.955994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1967.955994 (E_RNA) where: Base-Base interactions energy: -1319.581 where: short stacking energy: -577.080 Base-Backbone interact. energy: -1.775 local terms energy: -646.600206 where: bonds (distance) C4'-P energy: -145.125 bonds (distance) P-C4' energy: -133.427 flat angles C4'-P-C4' energy: -149.514 flat angles P-C4'-P energy: -100.006 tors. eta vs tors. theta energy: -118.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -1763.271299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.271299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.271299 (E_RNA) where: Base-Base interactions energy: -1158.064 where: short stacking energy: -505.865 Base-Backbone interact. energy: -1.107 local terms energy: -604.100482 where: bonds (distance) C4'-P energy: -126.571 bonds (distance) P-C4' energy: -141.208 flat angles C4'-P-C4' energy: -142.345 flat angles P-C4'-P energy: -85.422 tors. eta vs tors. theta energy: -108.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -1353.951123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.951123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.951123 (E_RNA) where: Base-Base interactions energy: -853.587 where: short stacking energy: -387.892 Base-Backbone interact. energy: -4.802 local terms energy: -495.562043 where: bonds (distance) C4'-P energy: -114.990 bonds (distance) P-C4' energy: -151.228 flat angles C4'-P-C4' energy: -124.444 flat angles P-C4'-P energy: -67.303 tors. eta vs tors. theta energy: -37.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -3278.912680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3278.912680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3278.912680 (E_RNA) where: Base-Base interactions energy: -2264.315 where: short stacking energy: -970.171 Base-Backbone interact. energy: -3.269 local terms energy: -1011.328500 where: bonds (distance) C4'-P energy: -193.979 bonds (distance) P-C4' energy: -186.259 flat angles C4'-P-C4' energy: -205.663 flat angles P-C4'-P energy: -150.032 tors. eta vs tors. theta energy: -275.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -3229.929601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.929601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.929601 (E_RNA) where: Base-Base interactions energy: -2257.738 where: short stacking energy: -934.660 Base-Backbone interact. energy: -4.566 local terms energy: -967.624865 where: bonds (distance) C4'-P energy: -170.350 bonds (distance) P-C4' energy: -180.727 flat angles C4'-P-C4' energy: -209.547 flat angles P-C4'-P energy: -141.813 tors. eta vs tors. theta energy: -265.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -3079.021581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.021581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.021581 (E_RNA) where: Base-Base interactions energy: -2176.216 where: short stacking energy: -920.932 Base-Backbone interact. energy: -6.801 local terms energy: -896.003929 where: bonds (distance) C4'-P energy: -156.244 bonds (distance) P-C4' energy: -151.819 flat angles C4'-P-C4' energy: -196.554 flat angles P-C4'-P energy: -129.514 tors. eta vs tors. theta energy: -261.874 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: 8 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -2862.804683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.804683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.804683 (E_RNA) where: Base-Base interactions energy: -1979.104 where: short stacking energy: -798.604 Base-Backbone interact. energy: -3.399 local terms energy: -880.301407 where: bonds (distance) C4'-P energy: -161.274 bonds (distance) P-C4' energy: -169.837 flat angles C4'-P-C4' energy: -197.624 flat angles P-C4'-P energy: -128.824 tors. eta vs tors. theta energy: -222.743 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: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -2703.625541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2703.625541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2703.625541 (E_RNA) where: Base-Base interactions energy: -1865.510 where: short stacking energy: -793.378 Base-Backbone interact. energy: -5.159 local terms energy: -832.956934 where: bonds (distance) C4'-P energy: -158.524 bonds (distance) P-C4' energy: -153.761 flat angles C4'-P-C4' energy: -181.267 flat angles P-C4'-P energy: -112.688 tors. eta vs tors. theta energy: -226.718 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: 4 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -2589.526532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2589.526532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2589.526532 (E_RNA) where: Base-Base interactions energy: -1827.291 where: short stacking energy: -786.176 Base-Backbone interact. energy: -3.719 local terms energy: -758.516242 where: bonds (distance) C4'-P energy: -148.355 bonds (distance) P-C4' energy: -125.787 flat angles C4'-P-C4' energy: -180.543 flat angles P-C4'-P energy: -104.721 tors. eta vs tors. theta energy: -199.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -2510.563018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2510.563018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2510.563018 (E_RNA) where: Base-Base interactions energy: -1715.064 where: short stacking energy: -763.457 Base-Backbone interact. energy: -4.342 local terms energy: -791.157146 where: bonds (distance) C4'-P energy: -162.006 bonds (distance) P-C4' energy: -150.010 flat angles C4'-P-C4' energy: -173.270 flat angles P-C4'-P energy: -96.281 tors. eta vs tors. theta energy: -209.591 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: 9 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1977.648879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.648879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.648879 (E_RNA) where: Base-Base interactions energy: -1340.174 where: short stacking energy: -580.651 Base-Backbone interact. energy: -1.174 local terms energy: -636.300614 where: bonds (distance) C4'-P energy: -138.594 bonds (distance) P-C4' energy: -143.366 flat angles C4'-P-C4' energy: -143.131 flat angles P-C4'-P energy: -87.802 tors. eta vs tors. theta energy: -123.407 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: 5 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -1720.939745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.939745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.939745 (E_RNA) where: Base-Base interactions energy: -1105.809 where: short stacking energy: -504.809 Base-Backbone interact. energy: -0.747 local terms energy: -614.384117 where: bonds (distance) C4'-P energy: -136.812 bonds (distance) P-C4' energy: -151.003 flat angles C4'-P-C4' energy: -120.845 flat angles P-C4'-P energy: -99.975 tors. eta vs tors. theta energy: -105.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -1338.048472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.048472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.048472 (E_RNA) where: Base-Base interactions energy: -814.643 where: short stacking energy: -388.347 Base-Backbone interact. energy: 1.788 local terms energy: -525.193059 where: bonds (distance) C4'-P energy: -134.597 bonds (distance) P-C4' energy: -161.728 flat angles C4'-P-C4' energy: -122.121 flat angles P-C4'-P energy: -68.338 tors. eta vs tors. theta energy: -38.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -3271.572648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3271.572648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3271.572648 (E_RNA) where: Base-Base interactions energy: -2283.714 where: short stacking energy: -963.294 Base-Backbone interact. energy: -1.210 local terms energy: -986.648492 where: bonds (distance) C4'-P energy: -180.275 bonds (distance) P-C4' energy: -186.501 flat angles C4'-P-C4' energy: -205.364 flat angles P-C4'-P energy: -142.361 tors. eta vs tors. theta energy: -272.148 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: 2 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -3232.887929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.887929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.887929 (E_RNA) where: Base-Base interactions energy: -2270.956 where: short stacking energy: -949.152 Base-Backbone interact. energy: -3.579 local terms energy: -958.353459 where: bonds (distance) C4'-P energy: -181.380 bonds (distance) P-C4' energy: -174.587 flat angles C4'-P-C4' energy: -209.638 flat angles P-C4'-P energy: -127.848 tors. eta vs tors. theta energy: -264.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -3089.723351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3089.723351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3089.723351 (E_RNA) where: Base-Base interactions energy: -2139.006 where: short stacking energy: -910.171 Base-Backbone interact. energy: 1.524 local terms energy: -952.241813 where: bonds (distance) C4'-P energy: -176.778 bonds (distance) P-C4' energy: -177.332 flat angles C4'-P-C4' energy: -202.664 flat angles P-C4'-P energy: -130.120 tors. eta vs tors. theta energy: -265.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -2834.586354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2834.586354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2834.586354 (E_RNA) where: Base-Base interactions energy: -1955.083 where: short stacking energy: -834.333 Base-Backbone interact. energy: -2.958 local terms energy: -876.545801 where: bonds (distance) C4'-P energy: -168.191 bonds (distance) P-C4' energy: -160.417 flat angles C4'-P-C4' energy: -193.963 flat angles P-C4'-P energy: -121.832 tors. eta vs tors. theta energy: -232.143 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: 7 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -2746.593470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.593470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.593470 (E_RNA) where: Base-Base interactions energy: -1864.480 where: short stacking energy: -786.187 Base-Backbone interact. energy: -5.186 local terms energy: -876.927084 where: bonds (distance) C4'-P energy: -152.970 bonds (distance) P-C4' energy: -175.749 flat angles C4'-P-C4' energy: -170.033 flat angles P-C4'-P energy: -132.082 tors. eta vs tors. theta energy: -246.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -2637.932595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2637.932595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2637.932595 (E_RNA) where: Base-Base interactions energy: -1789.579 where: short stacking energy: -740.996 Base-Backbone interact. energy: 0.147 local terms energy: -848.500613 where: bonds (distance) C4'-P energy: -168.894 bonds (distance) P-C4' energy: -160.475 flat angles C4'-P-C4' energy: -186.256 flat angles P-C4'-P energy: -111.494 tors. eta vs tors. theta energy: -221.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -2506.202755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2506.202755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2506.202755 (E_RNA) where: Base-Base interactions energy: -1739.410 where: short stacking energy: -734.860 Base-Backbone interact. energy: 0.822 local terms energy: -767.615362 where: bonds (distance) C4'-P energy: -146.554 bonds (distance) P-C4' energy: -152.321 flat angles C4'-P-C4' energy: -166.888 flat angles P-C4'-P energy: -106.074 tors. eta vs tors. theta energy: -195.779 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: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -2019.986788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.986788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.986788 (E_RNA) where: Base-Base interactions energy: -1371.760 where: short stacking energy: -612.480 Base-Backbone interact. energy: -0.199 local terms energy: -648.028370 where: bonds (distance) C4'-P energy: -122.223 bonds (distance) P-C4' energy: -158.200 flat angles C4'-P-C4' energy: -147.592 flat angles P-C4'-P energy: -83.637 tors. eta vs tors. theta energy: -136.376 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: 9, replica: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -1671.418493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.418493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.418493 (E_RNA) where: Base-Base interactions energy: -1070.725 where: short stacking energy: -487.412 Base-Backbone interact. energy: 4.362 local terms energy: -605.055613 where: bonds (distance) C4'-P energy: -133.652 bonds (distance) P-C4' energy: -142.121 flat angles C4'-P-C4' energy: -148.006 flat angles P-C4'-P energy: -99.627 tors. eta vs tors. theta energy: -81.649 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: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -1271.538996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.538996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.538996 (E_RNA) where: Base-Base interactions energy: -736.174 where: short stacking energy: -352.981 Base-Backbone interact. energy: 6.657 local terms energy: -542.022199 where: bonds (distance) C4'-P energy: -104.430 bonds (distance) P-C4' energy: -161.508 flat angles C4'-P-C4' energy: -140.695 flat angles P-C4'-P energy: -86.924 tors. eta vs tors. theta energy: -48.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -3279.662144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.662144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.662144 (E_RNA) where: Base-Base interactions energy: -2340.068 where: short stacking energy: -976.032 Base-Backbone interact. energy: -4.410 local terms energy: -935.184249 where: bonds (distance) C4'-P energy: -177.767 bonds (distance) P-C4' energy: -153.261 flat angles C4'-P-C4' energy: -204.435 flat angles P-C4'-P energy: -130.932 tors. eta vs tors. theta energy: -268.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -3237.859204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3237.859204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3237.859204 (E_RNA) where: Base-Base interactions energy: -2270.644 where: short stacking energy: -935.863 Base-Backbone interact. energy: -3.513 local terms energy: -963.702227 where: bonds (distance) C4'-P energy: -180.266 bonds (distance) P-C4' energy: -166.020 flat angles C4'-P-C4' energy: -208.487 flat angles P-C4'-P energy: -140.055 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: 3, replica: 1 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -3076.664547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.664547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.664547 (E_RNA) where: Base-Base interactions energy: -2174.203 where: short stacking energy: -932.906 Base-Backbone interact. energy: -1.573 local terms energy: -900.889068 where: bonds (distance) C4'-P energy: -144.432 bonds (distance) P-C4' energy: -166.750 flat angles C4'-P-C4' energy: -186.841 flat angles P-C4'-P energy: -131.056 tors. eta vs tors. theta energy: -271.811 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: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -2892.505435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.505435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.505435 (E_RNA) where: Base-Base interactions energy: -1994.956 where: short stacking energy: -854.546 Base-Backbone interact. energy: 0.641 local terms energy: -898.190678 where: bonds (distance) C4'-P energy: -167.725 bonds (distance) P-C4' energy: -176.380 flat angles C4'-P-C4' energy: -183.308 flat angles P-C4'-P energy: -125.360 tors. eta vs tors. theta energy: -245.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -2749.825219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.825219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.825219 (E_RNA) where: Base-Base interactions energy: -1906.980 where: short stacking energy: -800.289 Base-Backbone interact. energy: -3.140 local terms energy: -839.705425 where: bonds (distance) C4'-P energy: -149.988 bonds (distance) P-C4' energy: -167.975 flat angles C4'-P-C4' energy: -191.171 flat angles P-C4'-P energy: -116.953 tors. eta vs tors. theta energy: -213.617 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: 4 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -2605.989653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.989653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.989653 (E_RNA) where: Base-Base interactions energy: -1767.479 where: short stacking energy: -731.436 Base-Backbone interact. energy: 0.062 local terms energy: -838.572696 where: bonds (distance) C4'-P energy: -165.556 bonds (distance) P-C4' energy: -166.988 flat angles C4'-P-C4' energy: -184.685 flat angles P-C4'-P energy: -111.200 tors. eta vs tors. theta energy: -210.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -2511.931346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2511.931346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2511.931346 (E_RNA) where: Base-Base interactions energy: -1733.110 where: short stacking energy: -725.899 Base-Backbone interact. energy: -1.159 local terms energy: -777.662395 where: bonds (distance) C4'-P energy: -139.673 bonds (distance) P-C4' energy: -161.962 flat angles C4'-P-C4' energy: -165.221 flat angles P-C4'-P energy: -118.854 tors. eta vs tors. theta energy: -191.952 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: 8, replica: 9 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -2027.156507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2027.156507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2027.156507 (E_RNA) where: Base-Base interactions energy: -1351.000 where: short stacking energy: -588.042 Base-Backbone interact. energy: -2.757 local terms energy: -673.400046 where: bonds (distance) C4'-P energy: -152.731 bonds (distance) P-C4' energy: -151.790 flat angles C4'-P-C4' energy: -152.266 flat angles P-C4'-P energy: -94.464 tors. eta vs tors. theta energy: -122.148 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: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -1665.723205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.723205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.723205 (E_RNA) where: Base-Base interactions energy: -1100.572 where: short stacking energy: -491.105 Base-Backbone interact. energy: 6.420 local terms energy: -571.571651 where: bonds (distance) C4'-P energy: -137.417 bonds (distance) P-C4' energy: -129.147 flat angles C4'-P-C4' energy: -152.846 flat angles P-C4'-P energy: -73.380 tors. eta vs tors. theta energy: -78.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -1321.698602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.698602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.698602 (E_RNA) where: Base-Base interactions energy: -775.736 where: short stacking energy: -384.146 Base-Backbone interact. energy: 3.848 local terms energy: -549.810336 where: bonds (distance) C4'-P energy: -136.553 bonds (distance) P-C4' energy: -144.029 flat angles C4'-P-C4' energy: -153.014 flat angles P-C4'-P energy: -85.808 tors. eta vs tors. theta energy: -30.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -3283.116098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3283.116098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3283.116098 (E_RNA) where: Base-Base interactions energy: -2290.838 where: short stacking energy: -962.649 Base-Backbone interact. energy: -3.679 local terms energy: -988.599360 where: bonds (distance) C4'-P energy: -165.657 bonds (distance) P-C4' energy: -179.534 flat angles C4'-P-C4' energy: -213.020 flat angles P-C4'-P energy: -154.173 tors. eta vs tors. theta energy: -276.216 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: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -3203.888533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3203.888533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3203.888533 (E_RNA) where: Base-Base interactions energy: -2276.040 where: short stacking energy: -944.143 Base-Backbone interact. energy: -1.332 local terms energy: -926.516179 where: bonds (distance) C4'-P energy: -176.125 bonds (distance) P-C4' energy: -175.014 flat angles C4'-P-C4' energy: -183.695 flat angles P-C4'-P energy: -134.326 tors. eta vs tors. theta energy: -257.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -3111.822776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3111.822776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3111.822776 (E_RNA) where: Base-Base interactions energy: -2188.971 where: short stacking energy: -898.501 Base-Backbone interact. energy: -2.299 local terms energy: -920.552706 where: bonds (distance) C4'-P energy: -147.934 bonds (distance) P-C4' energy: -169.919 flat angles C4'-P-C4' energy: -206.266 flat angles P-C4'-P energy: -133.968 tors. eta vs tors. theta energy: -262.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -2907.178481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.178481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.178481 (E_RNA) where: Base-Base interactions energy: -2023.494 where: short stacking energy: -852.702 Base-Backbone interact. energy: -8.121 local terms energy: -875.564238 where: bonds (distance) C4'-P energy: -167.546 bonds (distance) P-C4' energy: -165.372 flat angles C4'-P-C4' energy: -188.667 flat angles P-C4'-P energy: -112.831 tors. eta vs tors. theta energy: -241.148 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: 5, replica: 7 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -2754.363077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.363077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.363077 (E_RNA) where: Base-Base interactions energy: -1940.998 where: short stacking energy: -810.752 Base-Backbone interact. energy: -0.684 local terms energy: -812.681241 where: bonds (distance) C4'-P energy: -158.703 bonds (distance) P-C4' energy: -155.333 flat angles C4'-P-C4' energy: -188.426 flat angles P-C4'-P energy: -88.258 tors. eta vs tors. theta energy: -221.962 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: 6, replica: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -2645.284178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.284178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.284178 (E_RNA) where: Base-Base interactions energy: -1842.951 where: short stacking energy: -776.837 Base-Backbone interact. energy: -3.693 local terms energy: -798.640613 where: bonds (distance) C4'-P energy: -165.629 bonds (distance) P-C4' energy: -145.763 flat angles C4'-P-C4' energy: -179.172 flat angles P-C4'-P energy: -92.518 tors. eta vs tors. theta energy: -215.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -2462.770909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2462.770909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2462.770909 (E_RNA) where: Base-Base interactions energy: -1681.602 where: short stacking energy: -731.878 Base-Backbone interact. energy: 4.077 local terms energy: -785.245596 where: bonds (distance) C4'-P energy: -153.997 bonds (distance) P-C4' energy: -157.525 flat angles C4'-P-C4' energy: -164.108 flat angles P-C4'-P energy: -121.870 tors. eta vs tors. theta energy: -187.746 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: 9 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -2005.702910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.702910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.702910 (E_RNA) where: Base-Base interactions energy: -1330.435 where: short stacking energy: -571.247 Base-Backbone interact. energy: -1.009 local terms energy: -674.258069 where: bonds (distance) C4'-P energy: -135.116 bonds (distance) P-C4' energy: -135.004 flat angles C4'-P-C4' energy: -173.466 flat angles P-C4'-P energy: -98.108 tors. eta vs tors. theta energy: -132.565 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: 5 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -1710.444982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.444982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.444982 (E_RNA) where: Base-Base interactions energy: -1099.591 where: short stacking energy: -499.726 Base-Backbone interact. energy: 1.936 local terms energy: -612.790933 where: bonds (distance) C4'-P energy: -135.588 bonds (distance) P-C4' energy: -142.670 flat angles C4'-P-C4' energy: -147.279 flat angles P-C4'-P energy: -88.113 tors. eta vs tors. theta energy: -99.142 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: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -1316.110496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.110496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.110496 (E_RNA) where: Base-Base interactions energy: -791.077 where: short stacking energy: -388.267 Base-Backbone interact. energy: 4.214 local terms energy: -529.246903 where: bonds (distance) C4'-P energy: -156.896 bonds (distance) P-C4' energy: -162.359 flat angles C4'-P-C4' energy: -143.223 flat angles P-C4'-P energy: -47.555 tors. eta vs tors. theta energy: -19.213 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: 1, replica: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -3264.927809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.927809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.927809 (E_RNA) where: Base-Base interactions energy: -2291.372 where: short stacking energy: -957.836 Base-Backbone interact. energy: -2.429 local terms energy: -971.127253 where: bonds (distance) C4'-P energy: -180.058 bonds (distance) P-C4' energy: -178.470 flat angles C4'-P-C4' energy: -200.408 flat angles P-C4'-P energy: -141.322 tors. eta vs tors. theta energy: -270.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -3206.552970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.552970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.552970 (E_RNA) where: Base-Base interactions energy: -2267.280 where: short stacking energy: -921.780 Base-Backbone interact. energy: -1.160 local terms energy: -938.113080 where: bonds (distance) C4'-P energy: -166.829 bonds (distance) P-C4' energy: -179.592 flat angles C4'-P-C4' energy: -211.077 flat angles P-C4'-P energy: -135.738 tors. eta vs tors. theta energy: -244.878 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: 1 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -3118.624269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3118.624269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3118.624269 (E_RNA) where: Base-Base interactions energy: -2182.781 where: short stacking energy: -900.710 Base-Backbone interact. energy: -1.833 local terms energy: -934.010138 where: bonds (distance) C4'-P energy: -170.318 bonds (distance) P-C4' energy: -159.796 flat angles C4'-P-C4' energy: -201.007 flat angles P-C4'-P energy: -137.645 tors. eta vs tors. theta energy: -265.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -2876.612687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.612687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.612687 (E_RNA) where: Base-Base interactions energy: -1963.771 where: short stacking energy: -811.455 Base-Backbone interact. energy: -4.122 local terms energy: -908.719551 where: bonds (distance) C4'-P energy: -175.158 bonds (distance) P-C4' energy: -181.221 flat angles C4'-P-C4' energy: -193.742 flat angles P-C4'-P energy: -121.519 tors. eta vs tors. theta energy: -237.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -2763.489908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.489908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.489908 (E_RNA) where: Base-Base interactions energy: -1949.178 where: short stacking energy: -846.596 Base-Backbone interact. energy: -4.264 local terms energy: -810.047688 where: bonds (distance) C4'-P energy: -123.745 bonds (distance) P-C4' energy: -149.280 flat angles C4'-P-C4' energy: -181.688 flat angles P-C4'-P energy: -122.716 tors. eta vs tors. theta energy: -232.619 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: 4 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -2645.361114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2645.361114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2645.361114 (E_RNA) where: Base-Base interactions energy: -1830.530 where: short stacking energy: -716.899 Base-Backbone interact. energy: -4.991 local terms energy: -809.840010 where: bonds (distance) C4'-P energy: -150.606 bonds (distance) P-C4' energy: -171.996 flat angles C4'-P-C4' energy: -188.993 flat angles P-C4'-P energy: -111.835 tors. eta vs tors. theta energy: -186.410 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: 3 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -2486.400178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2486.400178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2486.400178 (E_RNA) where: Base-Base interactions energy: -1717.294 where: short stacking energy: -750.473 Base-Backbone interact. energy: -2.599 local terms energy: -766.507850 where: bonds (distance) C4'-P energy: -117.860 bonds (distance) P-C4' energy: -149.770 flat angles C4'-P-C4' energy: -173.487 flat angles P-C4'-P energy: -115.963 tors. eta vs tors. theta energy: -209.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1945.684816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1945.684816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1945.684816 (E_RNA) where: Base-Base interactions energy: -1340.768 where: short stacking energy: -550.919 Base-Backbone interact. energy: -1.310 local terms energy: -603.606401 where: bonds (distance) C4'-P energy: -122.089 bonds (distance) P-C4' energy: -135.766 flat angles C4'-P-C4' energy: -150.334 flat angles P-C4'-P energy: -91.048 tors. eta vs tors. theta energy: -104.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -1707.778312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.778312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.778312 (E_RNA) where: Base-Base interactions energy: -1075.777 where: short stacking energy: -525.755 Base-Backbone interact. energy: -1.059 local terms energy: -630.942937 where: bonds (distance) C4'-P energy: -153.838 bonds (distance) P-C4' energy: -133.340 flat angles C4'-P-C4' energy: -141.703 flat angles P-C4'-P energy: -93.940 tors. eta vs tors. theta energy: -108.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -1324.108751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.108751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.108751 (E_RNA) where: Base-Base interactions energy: -794.849 where: short stacking energy: -390.221 Base-Backbone interact. energy: -2.243 local terms energy: -527.016570 where: bonds (distance) C4'-P energy: -130.031 bonds (distance) P-C4' energy: -135.412 flat angles C4'-P-C4' energy: -142.666 flat angles P-C4'-P energy: -84.255 tors. eta vs tors. theta energy: -34.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -3225.215845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.215845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.215845 (E_RNA) where: Base-Base interactions energy: -2257.537 where: short stacking energy: -925.874 Base-Backbone interact. energy: -4.622 local terms energy: -963.056468 where: bonds (distance) C4'-P energy: -178.347 bonds (distance) P-C4' energy: -189.726 flat angles C4'-P-C4' energy: -207.750 flat angles P-C4'-P energy: -132.150 tors. eta vs tors. theta energy: -255.084 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: 2, replica: 2 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -3217.602887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3217.602887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3217.602887 (E_RNA) where: Base-Base interactions energy: -2272.621 where: short stacking energy: -943.449 Base-Backbone interact. energy: -2.384 local terms energy: -942.597692 where: bonds (distance) C4'-P energy: -164.369 bonds (distance) P-C4' energy: -183.733 flat angles C4'-P-C4' energy: -195.437 flat angles P-C4'-P energy: -140.922 tors. eta vs tors. theta energy: -258.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -3066.061802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.061802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.061802 (E_RNA) where: Base-Base interactions energy: -2140.680 where: short stacking energy: -909.896 Base-Backbone interact. energy: -2.452 local terms energy: -922.929489 where: bonds (distance) C4'-P energy: -165.427 bonds (distance) P-C4' energy: -163.268 flat angles C4'-P-C4' energy: -196.992 flat angles P-C4'-P energy: -142.241 tors. eta vs tors. theta energy: -255.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -2895.100214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.100214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.100214 (E_RNA) where: Base-Base interactions energy: -2009.252 where: short stacking energy: -840.486 Base-Backbone interact. energy: -1.623 local terms energy: -884.224826 where: bonds (distance) C4'-P energy: -151.554 bonds (distance) P-C4' energy: -173.416 flat angles C4'-P-C4' energy: -204.512 flat angles P-C4'-P energy: -125.566 tors. eta vs tors. theta energy: -229.176 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: 5, replica: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -2769.574125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.574125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.574125 (E_RNA) where: Base-Base interactions energy: -1920.832 where: short stacking energy: -807.405 Base-Backbone interact. energy: 0.331 local terms energy: -849.073257 where: bonds (distance) C4'-P energy: -155.764 bonds (distance) P-C4' energy: -151.860 flat angles C4'-P-C4' energy: -182.379 flat angles P-C4'-P energy: -114.440 tors. eta vs tors. theta energy: -244.630 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: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -2631.214779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2631.214779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2631.214779 (E_RNA) where: Base-Base interactions energy: -1820.837 where: short stacking energy: -746.509 Base-Backbone interact. energy: 1.151 local terms energy: -811.528330 where: bonds (distance) C4'-P energy: -146.899 bonds (distance) P-C4' energy: -163.783 flat angles C4'-P-C4' energy: -189.313 flat angles P-C4'-P energy: -95.699 tors. eta vs tors. theta energy: -215.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -2566.379297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2566.379297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2566.379297 (E_RNA) where: Base-Base interactions energy: -1754.316 where: short stacking energy: -752.625 Base-Backbone interact. energy: -2.638 local terms energy: -809.425182 where: bonds (distance) C4'-P energy: -151.335 bonds (distance) P-C4' energy: -160.806 flat angles C4'-P-C4' energy: -181.175 flat angles P-C4'-P energy: -102.826 tors. eta vs tors. theta energy: -213.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1928.116128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1928.116128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1928.116128 (E_RNA) where: Base-Base interactions energy: -1288.172 where: short stacking energy: -563.870 Base-Backbone interact. energy: -2.336 local terms energy: -637.608163 where: bonds (distance) C4'-P energy: -132.230 bonds (distance) P-C4' energy: -135.727 flat angles C4'-P-C4' energy: -168.421 flat angles P-C4'-P energy: -89.452 tors. eta vs tors. theta energy: -111.778 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: 5 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -1687.668453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.668453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.668453 (E_RNA) where: Base-Base interactions energy: -1041.589 where: short stacking energy: -485.629 Base-Backbone interact. energy: 1.941 local terms energy: -648.019745 where: bonds (distance) C4'-P energy: -154.917 bonds (distance) P-C4' energy: -170.545 flat angles C4'-P-C4' energy: -147.448 flat angles P-C4'-P energy: -101.034 tors. eta vs tors. theta energy: -74.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -1253.187194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.187194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.187194 (E_RNA) where: Base-Base interactions energy: -714.201 where: short stacking energy: -379.574 Base-Backbone interact. energy: 1.662 local terms energy: -540.647982 where: bonds (distance) C4'-P energy: -143.405 bonds (distance) P-C4' energy: -135.043 flat angles C4'-P-C4' energy: -148.646 flat angles P-C4'-P energy: -78.632 tors. eta vs tors. theta energy: -34.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -3230.952250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3230.952250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3230.952250 (E_RNA) where: Base-Base interactions energy: -2262.409 where: short stacking energy: -948.325 Base-Backbone interact. energy: -4.654 local terms energy: -963.888844 where: bonds (distance) C4'-P energy: -161.802 bonds (distance) P-C4' energy: -178.188 flat angles C4'-P-C4' energy: -202.680 flat angles P-C4'-P energy: -148.407 tors. eta vs tors. theta energy: -272.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -3193.585444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3193.585444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3193.585444 (E_RNA) where: Base-Base interactions energy: -2258.953 where: short stacking energy: -946.487 Base-Backbone interact. energy: -5.199 local terms energy: -929.433579 where: bonds (distance) C4'-P energy: -170.529 bonds (distance) P-C4' energy: -177.757 flat angles C4'-P-C4' energy: -194.494 flat angles P-C4'-P energy: -119.121 tors. eta vs tors. theta energy: -267.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -3108.902606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.902606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.902606 (E_RNA) where: Base-Base interactions energy: -2156.664 where: short stacking energy: -928.517 Base-Backbone interact. energy: -2.794 local terms energy: -949.444727 where: bonds (distance) C4'-P energy: -181.761 bonds (distance) P-C4' energy: -162.405 flat angles C4'-P-C4' energy: -189.085 flat angles P-C4'-P energy: -127.593 tors. eta vs tors. theta energy: -288.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -2901.307286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.307286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.307286 (E_RNA) where: Base-Base interactions energy: -2026.991 where: short stacking energy: -855.072 Base-Backbone interact. energy: -1.424 local terms energy: -872.892139 where: bonds (distance) C4'-P energy: -147.139 bonds (distance) P-C4' energy: -166.939 flat angles C4'-P-C4' energy: -181.679 flat angles P-C4'-P energy: -141.211 tors. eta vs tors. theta energy: -235.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -2753.980783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.980783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.980783 (E_RNA) where: Base-Base interactions energy: -1901.481 where: short stacking energy: -791.678 Base-Backbone interact. energy: -4.373 local terms energy: -848.127137 where: bonds (distance) C4'-P energy: -163.316 bonds (distance) P-C4' energy: -166.638 flat angles C4'-P-C4' energy: -182.867 flat angles P-C4'-P energy: -116.293 tors. eta vs tors. theta energy: -219.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -2559.025475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.025475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.025475 (E_RNA) where: Base-Base interactions energy: -1774.667 where: short stacking energy: -721.609 Base-Backbone interact. energy: -5.463 local terms energy: -778.895675 where: bonds (distance) C4'-P energy: -160.122 bonds (distance) P-C4' energy: -148.896 flat angles C4'-P-C4' energy: -166.569 flat angles P-C4'-P energy: -109.832 tors. eta vs tors. theta energy: -193.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -2501.815388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2501.815388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2501.815388 (E_RNA) where: Base-Base interactions energy: -1755.543 where: short stacking energy: -762.632 Base-Backbone interact. energy: -0.771 local terms energy: -745.501316 where: bonds (distance) C4'-P energy: -140.005 bonds (distance) P-C4' energy: -137.697 flat angles C4'-P-C4' energy: -164.965 flat angles P-C4'-P energy: -94.255 tors. eta vs tors. theta energy: -208.580 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: 8, replica: 9 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -2008.142736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2008.142736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2008.142736 (E_RNA) where: Base-Base interactions energy: -1306.170 where: short stacking energy: -591.150 Base-Backbone interact. energy: -0.654 local terms energy: -701.319428 where: bonds (distance) C4'-P energy: -136.661 bonds (distance) P-C4' energy: -155.199 flat angles C4'-P-C4' energy: -159.053 flat angles P-C4'-P energy: -105.186 tors. eta vs tors. theta energy: -145.220 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: 5 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -1676.002851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.002851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.002851 (E_RNA) where: Base-Base interactions energy: -1102.134 where: short stacking energy: -494.874 Base-Backbone interact. energy: 5.217 local terms energy: -579.086260 where: bonds (distance) C4'-P energy: -129.663 bonds (distance) P-C4' energy: -140.656 flat angles C4'-P-C4' energy: -133.620 flat angles P-C4'-P energy: -94.816 tors. eta vs tors. theta energy: -80.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -1208.643036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.643036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.643036 (E_RNA) where: Base-Base interactions energy: -674.632 where: short stacking energy: -335.814 Base-Backbone interact. energy: -1.844 local terms energy: -532.166730 where: bonds (distance) C4'-P energy: -146.624 bonds (distance) P-C4' energy: -152.747 flat angles C4'-P-C4' energy: -157.602 flat angles P-C4'-P energy: -63.214 tors. eta vs tors. theta energy: -11.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -3258.289348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3258.289348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3258.289348 (E_RNA) where: Base-Base interactions energy: -2306.086 where: short stacking energy: -951.724 Base-Backbone interact. energy: -1.897 local terms energy: -950.306341 where: bonds (distance) C4'-P energy: -162.702 bonds (distance) P-C4' energy: -187.333 flat angles C4'-P-C4' energy: -205.592 flat angles P-C4'-P energy: -140.481 tors. eta vs tors. theta energy: -254.198 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: 2 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -3227.428234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.428234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.428234 (E_RNA) where: Base-Base interactions energy: -2291.587 where: short stacking energy: -954.837 Base-Backbone interact. energy: -1.157 local terms energy: -934.684288 where: bonds (distance) C4'-P energy: -162.661 bonds (distance) P-C4' energy: -167.958 flat angles C4'-P-C4' energy: -201.391 flat angles P-C4'-P energy: -133.884 tors. eta vs tors. theta energy: -268.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -3141.235803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3141.235803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3141.235803 (E_RNA) where: Base-Base interactions energy: -2206.474 where: short stacking energy: -971.138 Base-Backbone interact. energy: -0.821 local terms energy: -933.941573 where: bonds (distance) C4'-P energy: -151.318 bonds (distance) P-C4' energy: -168.753 flat angles C4'-P-C4' energy: -201.062 flat angles P-C4'-P energy: -123.860 tors. eta vs tors. theta energy: -288.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -2838.033841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.033841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.033841 (E_RNA) where: Base-Base interactions energy: -1962.181 where: short stacking energy: -823.604 Base-Backbone interact. energy: -3.144 local terms energy: -872.708570 where: bonds (distance) C4'-P energy: -158.278 bonds (distance) P-C4' energy: -164.626 flat angles C4'-P-C4' energy: -196.411 flat angles P-C4'-P energy: -122.618 tors. eta vs tors. theta energy: -230.776 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: 4 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -2702.780824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.780824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.780824 (E_RNA) where: Base-Base interactions energy: -1848.326 where: short stacking energy: -794.355 Base-Backbone interact. energy: -0.433 local terms energy: -854.021708 where: bonds (distance) C4'-P energy: -151.567 bonds (distance) P-C4' energy: -168.374 flat angles C4'-P-C4' energy: -185.455 flat angles P-C4'-P energy: -128.892 tors. eta vs tors. theta energy: -219.734 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: 7 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -2606.612300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2606.612300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2606.612300 (E_RNA) where: Base-Base interactions energy: -1807.846 where: short stacking energy: -773.512 Base-Backbone interact. energy: 8.638 local terms energy: -807.404577 where: bonds (distance) C4'-P energy: -166.348 bonds (distance) P-C4' energy: -146.446 flat angles C4'-P-C4' energy: -186.313 flat angles P-C4'-P energy: -110.987 tors. eta vs tors. theta energy: -197.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -2517.649564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2517.649564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2517.649564 (E_RNA) where: Base-Base interactions energy: -1711.821 where: short stacking energy: -738.388 Base-Backbone interact. energy: -3.832 local terms energy: -801.996593 where: bonds (distance) C4'-P energy: -162.421 bonds (distance) P-C4' energy: -149.586 flat angles C4'-P-C4' energy: -190.196 flat angles P-C4'-P energy: -101.427 tors. eta vs tors. theta energy: -198.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1960.588749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.588749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.588749 (E_RNA) where: Base-Base interactions energy: -1291.055 where: short stacking energy: -559.447 Base-Backbone interact. energy: -3.514 local terms energy: -666.019744 where: bonds (distance) C4'-P energy: -124.998 bonds (distance) P-C4' energy: -162.577 flat angles C4'-P-C4' energy: -152.872 flat angles P-C4'-P energy: -96.112 tors. eta vs tors. theta energy: -129.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -1737.026540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.026540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.026540 (E_RNA) where: Base-Base interactions energy: -1126.177 where: short stacking energy: -506.240 Base-Backbone interact. energy: 2.892 local terms energy: -613.741278 where: bonds (distance) C4'-P energy: -140.104 bonds (distance) P-C4' energy: -138.555 flat angles C4'-P-C4' energy: -138.040 flat angles P-C4'-P energy: -111.668 tors. eta vs tors. theta energy: -85.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -1195.925143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.925143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.925143 (E_RNA) where: Base-Base interactions energy: -700.950 where: short stacking energy: -352.684 Base-Backbone interact. energy: 1.622 local terms energy: -496.597370 where: bonds (distance) C4'-P energy: -146.498 bonds (distance) P-C4' energy: -147.674 flat angles C4'-P-C4' energy: -136.272 flat angles P-C4'-P energy: -73.682 tors. eta vs tors. theta energy: 7.528 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: 2 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -3285.843856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3285.843856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3285.843856 (E_RNA) where: Base-Base interactions energy: -2328.029 where: short stacking energy: -963.561 Base-Backbone interact. energy: 0.127 local terms energy: -957.941971 where: bonds (distance) C4'-P energy: -154.214 bonds (distance) P-C4' energy: -185.408 flat angles C4'-P-C4' energy: -220.332 flat angles P-C4'-P energy: -130.555 tors. eta vs tors. theta energy: -267.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -3219.256711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3219.256711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3219.256711 (E_RNA) where: Base-Base interactions energy: -2275.134 where: short stacking energy: -897.837 Base-Backbone interact. energy: -5.779 local terms energy: -938.342872 where: bonds (distance) C4'-P energy: -181.455 bonds (distance) P-C4' energy: -158.154 flat angles C4'-P-C4' energy: -201.390 flat angles P-C4'-P energy: -152.257 tors. eta vs tors. theta energy: -245.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -3091.951604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3091.951604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3091.951604 (E_RNA) where: Base-Base interactions energy: -2192.927 where: short stacking energy: -930.451 Base-Backbone interact. energy: -1.416 local terms energy: -897.608593 where: bonds (distance) C4'-P energy: -166.265 bonds (distance) P-C4' energy: -165.134 flat angles C4'-P-C4' energy: -179.963 flat angles P-C4'-P energy: -121.373 tors. eta vs tors. theta energy: -264.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -2885.381624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.381624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.381624 (E_RNA) where: Base-Base interactions energy: -2025.682 where: short stacking energy: -847.977 Base-Backbone interact. energy: 3.142 local terms energy: -862.841260 where: bonds (distance) C4'-P energy: -148.857 bonds (distance) P-C4' energy: -174.995 flat angles C4'-P-C4' energy: -165.314 flat angles P-C4'-P energy: -118.510 tors. eta vs tors. theta energy: -255.165 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: 404 Temperature: 1.100000 Total energy: -2723.908696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.908696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.908696 (E_RNA) where: Base-Base interactions energy: -1869.329 where: short stacking energy: -787.220 Base-Backbone interact. energy: -1.003 local terms energy: -853.576633 where: bonds (distance) C4'-P energy: -140.454 bonds (distance) P-C4' energy: -175.933 flat angles C4'-P-C4' energy: -181.736 flat angles P-C4'-P energy: -128.665 tors. eta vs tors. theta energy: -226.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -2598.487286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.487286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.487286 (E_RNA) where: Base-Base interactions energy: -1813.433 where: short stacking energy: -757.084 Base-Backbone interact. energy: -2.144 local terms energy: -782.909802 where: bonds (distance) C4'-P energy: -138.067 bonds (distance) P-C4' energy: -147.709 flat angles C4'-P-C4' energy: -171.063 flat angles P-C4'-P energy: -115.115 tors. eta vs tors. theta energy: -210.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -2522.896238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2522.896238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2522.896238 (E_RNA) where: Base-Base interactions energy: -1758.191 where: short stacking energy: -738.311 Base-Backbone interact. energy: 0.082 local terms energy: -764.787407 where: bonds (distance) C4'-P energy: -133.640 bonds (distance) P-C4' energy: -161.458 flat angles C4'-P-C4' energy: -169.097 flat angles P-C4'-P energy: -94.972 tors. eta vs tors. theta energy: -205.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1948.209426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1948.209426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1948.209426 (E_RNA) where: Base-Base interactions energy: -1286.909 where: short stacking energy: -599.052 Base-Backbone interact. energy: -2.936 local terms energy: -658.364921 where: bonds (distance) C4'-P energy: -131.277 bonds (distance) P-C4' energy: -138.168 flat angles C4'-P-C4' energy: -172.563 flat angles P-C4'-P energy: -80.202 tors. eta vs tors. theta energy: -136.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -1756.628621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.628621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.628621 (E_RNA) where: Base-Base interactions energy: -1173.289 where: short stacking energy: -497.594 Base-Backbone interact. energy: 9.179 local terms energy: -592.519026 where: bonds (distance) C4'-P energy: -129.885 bonds (distance) P-C4' energy: -157.607 flat angles C4'-P-C4' energy: -135.473 flat angles P-C4'-P energy: -83.924 tors. eta vs tors. theta energy: -85.630 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: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -1222.521938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.521938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.521938 (E_RNA) where: Base-Base interactions energy: -701.598 where: short stacking energy: -326.125 Base-Backbone interact. energy: 3.558 local terms energy: -524.482324 where: bonds (distance) C4'-P energy: -117.241 bonds (distance) P-C4' energy: -165.466 flat angles C4'-P-C4' energy: -138.672 flat angles P-C4'-P energy: -67.465 tors. eta vs tors. theta energy: -35.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -3287.009551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3287.009551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3287.009551 (E_RNA) where: Base-Base interactions energy: -2304.686 where: short stacking energy: -947.462 Base-Backbone interact. energy: -0.733 local terms energy: -981.591372 where: bonds (distance) C4'-P energy: -179.524 bonds (distance) P-C4' energy: -182.626 flat angles C4'-P-C4' energy: -200.641 flat angles P-C4'-P energy: -153.075 tors. eta vs tors. theta energy: -265.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -3184.819282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3184.819282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3184.819282 (E_RNA) where: Base-Base interactions energy: -2245.824 where: short stacking energy: -912.535 Base-Backbone interact. energy: -0.465 local terms energy: -938.530078 where: bonds (distance) C4'-P energy: -181.711 bonds (distance) P-C4' energy: -173.665 flat angles C4'-P-C4' energy: -188.344 flat angles P-C4'-P energy: -139.876 tors. eta vs tors. theta energy: -254.934 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: 1 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -3117.288472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3117.288472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3117.288472 (E_RNA) where: Base-Base interactions energy: -2174.542 where: short stacking energy: -941.503 Base-Backbone interact. energy: -2.567 local terms energy: -940.178898 where: bonds (distance) C4'-P energy: -152.969 bonds (distance) P-C4' energy: -174.546 flat angles C4'-P-C4' energy: -197.474 flat angles P-C4'-P energy: -140.240 tors. eta vs tors. theta energy: -274.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -2914.516563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.516563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.516563 (E_RNA) where: Base-Base interactions energy: -2029.769 where: short stacking energy: -835.459 Base-Backbone interact. energy: -2.972 local terms energy: -881.775784 where: bonds (distance) C4'-P energy: -168.970 bonds (distance) P-C4' energy: -164.841 flat angles C4'-P-C4' energy: -188.468 flat angles P-C4'-P energy: -123.548 tors. eta vs tors. theta energy: -235.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -2730.469973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2730.469973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2730.469973 (E_RNA) where: Base-Base interactions energy: -1885.318 where: short stacking energy: -835.563 Base-Backbone interact. energy: 2.258 local terms energy: -847.410512 where: bonds (distance) C4'-P energy: -155.282 bonds (distance) P-C4' energy: -156.586 flat angles C4'-P-C4' energy: -188.412 flat angles P-C4'-P energy: -115.042 tors. eta vs tors. theta energy: -232.088 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: 7 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -2619.742873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2619.742873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2619.742873 (E_RNA) where: Base-Base interactions energy: -1853.548 where: short stacking energy: -779.440 Base-Backbone interact. energy: 0.137 local terms energy: -766.331817 where: bonds (distance) C4'-P energy: -120.025 bonds (distance) P-C4' energy: -149.578 flat angles C4'-P-C4' energy: -173.584 flat angles P-C4'-P energy: -110.299 tors. eta vs tors. theta energy: -212.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -2467.347765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.347765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.347765 (E_RNA) where: Base-Base interactions energy: -1667.440 where: short stacking energy: -729.607 Base-Backbone interact. energy: -2.282 local terms energy: -797.625543 where: bonds (distance) C4'-P energy: -161.542 bonds (distance) P-C4' energy: -164.309 flat angles C4'-P-C4' energy: -167.198 flat angles P-C4'-P energy: -109.449 tors. eta vs tors. theta energy: -195.127 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: 8, replica: 9 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1983.171432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1983.171432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1983.171432 (E_RNA) where: Base-Base interactions energy: -1325.581 where: short stacking energy: -556.978 Base-Backbone interact. energy: -4.033 local terms energy: -653.557506 where: bonds (distance) C4'-P energy: -134.805 bonds (distance) P-C4' energy: -132.277 flat angles C4'-P-C4' energy: -155.533 flat angles P-C4'-P energy: -110.266 tors. eta vs tors. theta energy: -120.676 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: 5 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -1735.487244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.487244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.487244 (E_RNA) where: Base-Base interactions energy: -1090.568 where: short stacking energy: -503.721 Base-Backbone interact. energy: -1.451 local terms energy: -643.469034 where: bonds (distance) C4'-P energy: -153.070 bonds (distance) P-C4' energy: -157.660 flat angles C4'-P-C4' energy: -146.555 flat angles P-C4'-P energy: -90.990 tors. eta vs tors. theta energy: -95.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -1238.251974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.251974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.251974 (E_RNA) where: Base-Base interactions energy: -707.166 where: short stacking energy: -344.532 Base-Backbone interact. energy: -1.537 local terms energy: -529.548990 where: bonds (distance) C4'-P energy: -160.646 bonds (distance) P-C4' energy: -142.503 flat angles C4'-P-C4' energy: -129.192 flat angles P-C4'-P energy: -65.956 tors. eta vs tors. theta energy: -31.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -3273.450618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.450618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.450618 (E_RNA) where: Base-Base interactions energy: -2293.389 where: short stacking energy: -952.046 Base-Backbone interact. energy: 0.207 local terms energy: -980.268528 where: bonds (distance) C4'-P energy: -179.000 bonds (distance) P-C4' energy: -195.475 flat angles C4'-P-C4' energy: -209.290 flat angles P-C4'-P energy: -140.807 tors. eta vs tors. theta energy: -255.696 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: 6 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -3173.648178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.648178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.648178 (E_RNA) where: Base-Base interactions energy: -2205.493 where: short stacking energy: -899.269 Base-Backbone interact. energy: -8.219 local terms energy: -959.936195 where: bonds (distance) C4'-P energy: -178.081 bonds (distance) P-C4' energy: -168.216 flat angles C4'-P-C4' energy: -217.808 flat angles P-C4'-P energy: -146.168 tors. eta vs tors. theta energy: -249.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -3153.114107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3153.114107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3153.114107 (E_RNA) where: Base-Base interactions energy: -2173.570 where: short stacking energy: -940.170 Base-Backbone interact. energy: -4.038 local terms energy: -975.506729 where: bonds (distance) C4'-P energy: -174.388 bonds (distance) P-C4' energy: -170.757 flat angles C4'-P-C4' energy: -203.245 flat angles P-C4'-P energy: -144.570 tors. eta vs tors. theta energy: -282.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -2911.942805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.942805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.942805 (E_RNA) where: Base-Base interactions energy: -2024.337 where: short stacking energy: -839.555 Base-Backbone interact. energy: -1.029 local terms energy: -886.576805 where: bonds (distance) C4'-P energy: -163.766 bonds (distance) P-C4' energy: -169.641 flat angles C4'-P-C4' energy: -188.665 flat angles P-C4'-P energy: -118.431 tors. eta vs tors. theta energy: -246.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -2709.210224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2709.210224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2709.210224 (E_RNA) where: Base-Base interactions energy: -1879.071 where: short stacking energy: -825.326 Base-Backbone interact. energy: 4.209 local terms energy: -834.348058 where: bonds (distance) C4'-P energy: -133.375 bonds (distance) P-C4' energy: -155.358 flat angles C4'-P-C4' energy: -197.637 flat angles P-C4'-P energy: -119.191 tors. eta vs tors. theta energy: -228.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -2609.198683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.198683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.198683 (E_RNA) where: Base-Base interactions energy: -1807.794 where: short stacking energy: -772.197 Base-Backbone interact. energy: -3.777 local terms energy: -797.627172 where: bonds (distance) C4'-P energy: -146.277 bonds (distance) P-C4' energy: -156.915 flat angles C4'-P-C4' energy: -186.255 flat angles P-C4'-P energy: -98.695 tors. eta vs tors. theta energy: -209.485 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: 3 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -2409.444203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.444203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.444203 (E_RNA) where: Base-Base interactions energy: -1630.581 where: short stacking energy: -708.521 Base-Backbone interact. energy: -1.910 local terms energy: -776.953283 where: bonds (distance) C4'-P energy: -144.419 bonds (distance) P-C4' energy: -155.608 flat angles C4'-P-C4' energy: -156.750 flat angles P-C4'-P energy: -124.608 tors. eta vs tors. theta energy: -195.568 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: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1949.040909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1949.040909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1949.040909 (E_RNA) where: Base-Base interactions energy: -1289.732 where: short stacking energy: -562.628 Base-Backbone interact. energy: -0.663 local terms energy: -658.646074 where: bonds (distance) C4'-P energy: -136.282 bonds (distance) P-C4' energy: -133.215 flat angles C4'-P-C4' energy: -163.331 flat angles P-C4'-P energy: -91.149 tors. eta vs tors. theta energy: -134.670 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: 5 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -1615.152037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.152037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.152037 (E_RNA) where: Base-Base interactions energy: -1045.375 where: short stacking energy: -470.678 Base-Backbone interact. energy: -2.643 local terms energy: -567.133843 where: bonds (distance) C4'-P energy: -156.647 bonds (distance) P-C4' energy: -125.820 flat angles C4'-P-C4' energy: -133.289 flat angles P-C4'-P energy: -83.051 tors. eta vs tors. theta energy: -68.326 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: 10 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -1185.948824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.948824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.948824 (E_RNA) where: Base-Base interactions energy: -667.311 where: short stacking energy: -326.904 Base-Backbone interact. energy: -1.981 local terms energy: -516.656392 where: bonds (distance) C4'-P energy: -164.834 bonds (distance) P-C4' energy: -157.243 flat angles C4'-P-C4' energy: -98.385 flat angles P-C4'-P energy: -94.822 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -3301.848447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.848447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.848447 (E_RNA) where: Base-Base interactions energy: -2292.577 where: short stacking energy: -969.075 Base-Backbone interact. energy: -2.862 local terms energy: -1006.409622 where: bonds (distance) C4'-P energy: -179.777 bonds (distance) P-C4' energy: -192.719 flat angles C4'-P-C4' energy: -212.813 flat angles P-C4'-P energy: -143.635 tors. eta vs tors. theta energy: -277.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -3187.715343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3187.715343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3187.715343 (E_RNA) where: Base-Base interactions energy: -2239.545 where: short stacking energy: -924.471 Base-Backbone interact. energy: -1.736 local terms energy: -946.434267 where: bonds (distance) C4'-P energy: -177.980 bonds (distance) P-C4' energy: -169.478 flat angles C4'-P-C4' energy: -207.210 flat angles P-C4'-P energy: -145.643 tors. eta vs tors. theta energy: -246.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -3090.561321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3090.561321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3090.561321 (E_RNA) where: Base-Base interactions energy: -2115.294 where: short stacking energy: -890.668 Base-Backbone interact. energy: -2.950 local terms energy: -972.318016 where: bonds (distance) C4'-P energy: -165.008 bonds (distance) P-C4' energy: -183.692 flat angles C4'-P-C4' energy: -204.978 flat angles P-C4'-P energy: -137.931 tors. eta vs tors. theta energy: -280.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -2917.594045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.594045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.594045 (E_RNA) where: Base-Base interactions energy: -2028.997 where: short stacking energy: -862.610 Base-Backbone interact. energy: -0.262 local terms energy: -888.335294 where: bonds (distance) C4'-P energy: -165.134 bonds (distance) P-C4' energy: -171.264 flat angles C4'-P-C4' energy: -190.475 flat angles P-C4'-P energy: -105.194 tors. eta vs tors. theta energy: -256.269 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: 407 Temperature: 1.100000 Total energy: -2755.522466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.522466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.522466 (E_RNA) where: Base-Base interactions energy: -1864.122 where: short stacking energy: -782.992 Base-Backbone interact. energy: 1.430 local terms energy: -892.830509 where: bonds (distance) C4'-P energy: -173.349 bonds (distance) P-C4' energy: -176.842 flat angles C4'-P-C4' energy: -186.390 flat angles P-C4'-P energy: -130.875 tors. eta vs tors. theta energy: -225.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -2632.986704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.986704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.986704 (E_RNA) where: Base-Base interactions energy: -1819.508 where: short stacking energy: -734.690 Base-Backbone interact. energy: -5.460 local terms energy: -808.019052 where: bonds (distance) C4'-P energy: -143.578 bonds (distance) P-C4' energy: -157.790 flat angles C4'-P-C4' energy: -182.580 flat angles P-C4'-P energy: -131.771 tors. eta vs tors. theta energy: -192.299 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: 3 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -2447.952551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2447.952551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2447.952551 (E_RNA) where: Base-Base interactions energy: -1633.763 where: short stacking energy: -710.951 Base-Backbone interact. energy: -1.428 local terms energy: -812.761033 where: bonds (distance) C4'-P energy: -148.475 bonds (distance) P-C4' energy: -173.004 flat angles C4'-P-C4' energy: -176.550 flat angles P-C4'-P energy: -122.439 tors. eta vs tors. theta energy: -192.294 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: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -1958.710790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1958.710790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1958.710790 (E_RNA) where: Base-Base interactions energy: -1333.344 where: short stacking energy: -564.332 Base-Backbone interact. energy: 0.163 local terms energy: -625.529664 where: bonds (distance) C4'-P energy: -137.192 bonds (distance) P-C4' energy: -135.290 flat angles C4'-P-C4' energy: -165.408 flat angles P-C4'-P energy: -73.854 tors. eta vs tors. theta energy: -113.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -1563.254755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.254755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.254755 (E_RNA) where: Base-Base interactions energy: -946.682 where: short stacking energy: -434.288 Base-Backbone interact. energy: 0.080 local terms energy: -616.652281 where: bonds (distance) C4'-P energy: -130.498 bonds (distance) P-C4' energy: -163.370 flat angles C4'-P-C4' energy: -151.944 flat angles P-C4'-P energy: -96.055 tors. eta vs tors. theta energy: -74.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -1229.785894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.785894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.785894 (E_RNA) where: Base-Base interactions energy: -703.930 where: short stacking energy: -345.271 Base-Backbone interact. energy: 2.129 local terms energy: -527.985728 where: bonds (distance) C4'-P energy: -138.298 bonds (distance) P-C4' energy: -146.695 flat angles C4'-P-C4' energy: -129.401 flat angles P-C4'-P energy: -88.427 tors. eta vs tors. theta energy: -25.165 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: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -3320.838974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3320.838974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3320.838974 (E_RNA) where: Base-Base interactions energy: -2343.520 where: short stacking energy: -974.119 Base-Backbone interact. energy: -2.613 local terms energy: -974.706396 where: bonds (distance) C4'-P energy: -171.083 bonds (distance) P-C4' energy: -174.747 flat angles C4'-P-C4' energy: -205.163 flat angles P-C4'-P energy: -145.372 tors. eta vs tors. theta energy: -278.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -3197.623565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3197.623565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3197.623565 (E_RNA) where: Base-Base interactions energy: -2229.516 where: short stacking energy: -955.163 Base-Backbone interact. energy: -6.332 local terms energy: -961.775910 where: bonds (distance) C4'-P energy: -181.055 bonds (distance) P-C4' energy: -167.402 flat angles C4'-P-C4' energy: -205.210 flat angles P-C4'-P energy: -127.712 tors. eta vs tors. theta energy: -280.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -3130.120439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3130.120439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3130.120439 (E_RNA) where: Base-Base interactions energy: -2154.216 where: short stacking energy: -919.007 Base-Backbone interact. energy: -0.039 local terms energy: -975.865320 where: bonds (distance) C4'-P energy: -166.882 bonds (distance) P-C4' energy: -187.912 flat angles C4'-P-C4' energy: -199.691 flat angles P-C4'-P energy: -136.010 tors. eta vs tors. theta energy: -285.371 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: 8 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -2902.709122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.709122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.709122 (E_RNA) where: Base-Base interactions energy: -2003.375 where: short stacking energy: -834.864 Base-Backbone interact. energy: 0.650 local terms energy: -899.983243 where: bonds (distance) C4'-P energy: -175.064 bonds (distance) P-C4' energy: -175.858 flat angles C4'-P-C4' energy: -195.381 flat angles P-C4'-P energy: -117.391 tors. eta vs tors. theta energy: -236.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -2811.296891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.296891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.296891 (E_RNA) where: Base-Base interactions energy: -1901.208 where: short stacking energy: -813.218 Base-Backbone interact. energy: 1.780 local terms energy: -911.868647 where: bonds (distance) C4'-P energy: -157.188 bonds (distance) P-C4' energy: -177.558 flat angles C4'-P-C4' energy: -192.295 flat angles P-C4'-P energy: -132.096 tors. eta vs tors. theta energy: -252.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -2659.012204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.012204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.012204 (E_RNA) where: Base-Base interactions energy: -1843.559 where: short stacking energy: -781.666 Base-Backbone interact. energy: -2.298 local terms energy: -813.156079 where: bonds (distance) C4'-P energy: -153.643 bonds (distance) P-C4' energy: -157.738 flat angles C4'-P-C4' energy: -172.249 flat angles P-C4'-P energy: -111.731 tors. eta vs tors. theta energy: -217.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -2439.150521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2439.150521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2439.150521 (E_RNA) where: Base-Base interactions energy: -1675.214 where: short stacking energy: -691.454 Base-Backbone interact. energy: -0.861 local terms energy: -763.074614 where: bonds (distance) C4'-P energy: -141.730 bonds (distance) P-C4' energy: -162.354 flat angles C4'-P-C4' energy: -164.525 flat angles P-C4'-P energy: -109.232 tors. eta vs tors. theta energy: -185.233 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: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1931.488954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1931.488954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1931.488954 (E_RNA) where: Base-Base interactions energy: -1264.855 where: short stacking energy: -558.974 Base-Backbone interact. energy: -1.191 local terms energy: -665.442519 where: bonds (distance) C4'-P energy: -116.557 bonds (distance) P-C4' energy: -148.931 flat angles C4'-P-C4' energy: -168.814 flat angles P-C4'-P energy: -114.662 tors. eta vs tors. theta energy: -116.479 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: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -1614.763464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.763464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.763464 (E_RNA) where: Base-Base interactions energy: -1012.798 where: short stacking energy: -484.743 Base-Backbone interact. energy: -1.170 local terms energy: -600.795937 where: bonds (distance) C4'-P energy: -138.284 bonds (distance) P-C4' energy: -165.563 flat angles C4'-P-C4' energy: -146.105 flat angles P-C4'-P energy: -62.017 tors. eta vs tors. theta energy: -88.828 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: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -1233.876005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.876005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.876005 (E_RNA) where: Base-Base interactions energy: -734.764 where: short stacking energy: -361.444 Base-Backbone interact. energy: -1.285 local terms energy: -497.826381 where: bonds (distance) C4'-P energy: -123.783 bonds (distance) P-C4' energy: -158.778 flat angles C4'-P-C4' energy: -109.936 flat angles P-C4'-P energy: -79.885 tors. eta vs tors. theta energy: -25.445 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: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -3292.711894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3292.711894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3292.711894 (E_RNA) where: Base-Base interactions energy: -2306.123 where: short stacking energy: -954.269 Base-Backbone interact. energy: -3.477 local terms energy: -983.111332 where: bonds (distance) C4'-P energy: -166.463 bonds (distance) P-C4' energy: -187.138 flat angles C4'-P-C4' energy: -208.918 flat angles P-C4'-P energy: -141.438 tors. eta vs tors. theta energy: -279.156 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: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -3191.927329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3191.927329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3191.927329 (E_RNA) where: Base-Base interactions energy: -2251.895 where: short stacking energy: -936.046 Base-Backbone interact. energy: -2.663 local terms energy: -937.369324 where: bonds (distance) C4'-P energy: -166.364 bonds (distance) P-C4' energy: -173.442 flat angles C4'-P-C4' energy: -200.732 flat angles P-C4'-P energy: -141.316 tors. eta vs tors. theta energy: -255.516 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: 1 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -3108.514456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3108.514456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3108.514456 (E_RNA) where: Base-Base interactions energy: -2174.530 where: short stacking energy: -955.813 Base-Backbone interact. energy: -2.364 local terms energy: -931.620886 where: bonds (distance) C4'-P energy: -186.110 bonds (distance) P-C4' energy: -166.878 flat angles C4'-P-C4' energy: -191.917 flat angles P-C4'-P energy: -115.940 tors. eta vs tors. theta energy: -270.775 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: 4, replica: 8 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -2878.920552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.920552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.920552 (E_RNA) where: Base-Base interactions energy: -1994.493 where: short stacking energy: -860.097 Base-Backbone interact. energy: -2.875 local terms energy: -881.552173 where: bonds (distance) C4'-P energy: -159.609 bonds (distance) P-C4' energy: -177.443 flat angles C4'-P-C4' energy: -178.378 flat angles P-C4'-P energy: -115.596 tors. eta vs tors. theta energy: -250.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -2786.993059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2786.993059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2786.993059 (E_RNA) where: Base-Base interactions energy: -1924.109 where: short stacking energy: -846.501 Base-Backbone interact. energy: -0.103 local terms energy: -862.780904 where: bonds (distance) C4'-P energy: -158.759 bonds (distance) P-C4' energy: -147.595 flat angles C4'-P-C4' energy: -194.047 flat angles P-C4'-P energy: -124.894 tors. eta vs tors. theta energy: -237.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -2614.205487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2614.205487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2614.205487 (E_RNA) where: Base-Base interactions energy: -1845.394 where: short stacking energy: -755.072 Base-Backbone interact. energy: -0.895 local terms energy: -767.916255 where: bonds (distance) C4'-P energy: -150.192 bonds (distance) P-C4' energy: -155.264 flat angles C4'-P-C4' energy: -150.907 flat angles P-C4'-P energy: -96.559 tors. eta vs tors. theta energy: -214.993 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: 3 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -2495.880271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.880271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.880271 (E_RNA) where: Base-Base interactions energy: -1717.149 where: short stacking energy: -741.692 Base-Backbone interact. energy: -0.987 local terms energy: -777.744332 where: bonds (distance) C4'-P energy: -151.264 bonds (distance) P-C4' energy: -152.330 flat angles C4'-P-C4' energy: -157.171 flat angles P-C4'-P energy: -119.100 tors. eta vs tors. theta energy: -197.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1991.440527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1991.440527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1991.440527 (E_RNA) where: Base-Base interactions energy: -1280.931 where: short stacking energy: -576.929 Base-Backbone interact. energy: -1.795 local terms energy: -708.714116 where: bonds (distance) C4'-P energy: -159.200 bonds (distance) P-C4' energy: -149.275 flat angles C4'-P-C4' energy: -158.536 flat angles P-C4'-P energy: -114.495 tors. eta vs tors. theta energy: -127.209 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: 5 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -1676.655258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.655258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.655258 (E_RNA) where: Base-Base interactions energy: -1071.943 where: short stacking energy: -493.658 Base-Backbone interact. energy: 1.141 local terms energy: -605.853350 where: bonds (distance) C4'-P energy: -120.554 bonds (distance) P-C4' energy: -151.074 flat angles C4'-P-C4' energy: -163.403 flat angles P-C4'-P energy: -92.987 tors. eta vs tors. theta energy: -77.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -1289.355621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.355621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.355621 (E_RNA) where: Base-Base interactions energy: -785.245 where: short stacking energy: -359.047 Base-Backbone interact. energy: -0.642 local terms energy: -503.469412 where: bonds (distance) C4'-P energy: -103.594 bonds (distance) P-C4' energy: -142.013 flat angles C4'-P-C4' energy: -130.503 flat angles P-C4'-P energy: -91.304 tors. eta vs tors. theta energy: -36.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -3319.261537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3319.261537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3319.261537 (E_RNA) where: Base-Base interactions energy: -2344.191 where: short stacking energy: -979.413 Base-Backbone interact. energy: 0.629 local terms energy: -975.699832 where: bonds (distance) C4'-P energy: -172.716 bonds (distance) P-C4' energy: -185.658 flat angles C4'-P-C4' energy: -197.376 flat angles P-C4'-P energy: -145.380 tors. eta vs tors. theta energy: -274.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -3194.114311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3194.114311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3194.114311 (E_RNA) where: Base-Base interactions energy: -2255.608 where: short stacking energy: -960.318 Base-Backbone interact. energy: 1.160 local terms energy: -939.666617 where: bonds (distance) C4'-P energy: -172.363 bonds (distance) P-C4' energy: -153.717 flat angles C4'-P-C4' energy: -198.758 flat angles P-C4'-P energy: -148.644 tors. eta vs tors. theta energy: -266.186 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: 1 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -3075.967545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3075.967545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3075.967545 (E_RNA) where: Base-Base interactions energy: -2177.131 where: short stacking energy: -935.271 Base-Backbone interact. energy: -0.675 local terms energy: -898.161165 where: bonds (distance) C4'-P energy: -159.141 bonds (distance) P-C4' energy: -165.171 flat angles C4'-P-C4' energy: -194.761 flat angles P-C4'-P energy: -116.261 tors. eta vs tors. theta energy: -262.828 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: 8 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -2883.346796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2883.346796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2883.346796 (E_RNA) where: Base-Base interactions energy: -1990.164 where: short stacking energy: -831.373 Base-Backbone interact. energy: -5.103 local terms energy: -888.079768 where: bonds (distance) C4'-P energy: -162.058 bonds (distance) P-C4' energy: -157.298 flat angles C4'-P-C4' energy: -203.478 flat angles P-C4'-P energy: -126.488 tors. eta vs tors. theta energy: -238.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -2727.021476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2727.021476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2727.021476 (E_RNA) where: Base-Base interactions energy: -1909.844 where: short stacking energy: -785.068 Base-Backbone interact. energy: 2.703 local terms energy: -819.881364 where: bonds (distance) C4'-P energy: -144.023 bonds (distance) P-C4' energy: -168.528 flat angles C4'-P-C4' energy: -180.537 flat angles P-C4'-P energy: -101.640 tors. eta vs tors. theta energy: -225.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -2616.394909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.394909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.394909 (E_RNA) where: Base-Base interactions energy: -1855.437 where: short stacking energy: -745.615 Base-Backbone interact. energy: -3.262 local terms energy: -757.696254 where: bonds (distance) C4'-P energy: -130.461 bonds (distance) P-C4' energy: -141.716 flat angles C4'-P-C4' energy: -161.161 flat angles P-C4'-P energy: -116.844 tors. eta vs tors. theta energy: -207.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -2502.503660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2502.503660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2502.503660 (E_RNA) where: Base-Base interactions energy: -1748.215 where: short stacking energy: -729.286 Base-Backbone interact. energy: -1.897 local terms energy: -752.391872 where: bonds (distance) C4'-P energy: -140.994 bonds (distance) P-C4' energy: -160.762 flat angles C4'-P-C4' energy: -165.145 flat angles P-C4'-P energy: -104.553 tors. eta vs tors. theta energy: -180.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1960.446610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1960.446610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1960.446610 (E_RNA) where: Base-Base interactions energy: -1266.949 where: short stacking energy: -568.388 Base-Backbone interact. energy: 3.428 local terms energy: -696.925527 where: bonds (distance) C4'-P energy: -161.761 bonds (distance) P-C4' energy: -171.444 flat angles C4'-P-C4' energy: -152.088 flat angles P-C4'-P energy: -84.674 tors. eta vs tors. theta energy: -126.959 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: 5 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -1650.997518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.997518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.997518 (E_RNA) where: Base-Base interactions energy: -1042.638 where: short stacking energy: -497.085 Base-Backbone interact. energy: 0.597 local terms energy: -608.955967 where: bonds (distance) C4'-P energy: -124.996 bonds (distance) P-C4' energy: -140.960 flat angles C4'-P-C4' energy: -149.753 flat angles P-C4'-P energy: -95.997 tors. eta vs tors. theta energy: -97.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -1267.141135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.141135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.141135 (E_RNA) where: Base-Base interactions energy: -794.161 where: short stacking energy: -356.532 Base-Backbone interact. energy: -4.086 local terms energy: -468.894232 where: bonds (distance) C4'-P energy: -121.987 bonds (distance) P-C4' energy: -133.728 flat angles C4'-P-C4' energy: -125.648 flat angles P-C4'-P energy: -69.412 tors. eta vs tors. theta energy: -18.119 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: 1, replica: 2 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -3342.815331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3342.815331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3342.815331 (E_RNA) where: Base-Base interactions energy: -2336.731 where: short stacking energy: -968.895 Base-Backbone interact. energy: -1.615 local terms energy: -1004.469046 where: bonds (distance) C4'-P energy: -184.115 bonds (distance) P-C4' energy: -192.978 flat angles C4'-P-C4' energy: -213.826 flat angles P-C4'-P energy: -137.292 tors. eta vs tors. theta energy: -276.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -3226.567812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.567812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.567812 (E_RNA) where: Base-Base interactions energy: -2245.863 where: short stacking energy: -954.141 Base-Backbone interact. energy: -1.812 local terms energy: -978.892759 where: bonds (distance) C4'-P energy: -180.642 bonds (distance) P-C4' energy: -179.261 flat angles C4'-P-C4' energy: -215.722 flat angles P-C4'-P energy: -138.808 tors. eta vs tors. theta energy: -264.460 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: 1 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -3093.172399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3093.172399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3093.172399 (E_RNA) where: Base-Base interactions energy: -2130.116 where: short stacking energy: -935.542 Base-Backbone interact. energy: -3.326 local terms energy: -959.731249 where: bonds (distance) C4'-P energy: -176.890 bonds (distance) P-C4' energy: -174.987 flat angles C4'-P-C4' energy: -205.035 flat angles P-C4'-P energy: -142.755 tors. eta vs tors. theta energy: -260.064 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: 411 Temperature: 1.050000 Total energy: -2914.231600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.231600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.231600 (E_RNA) where: Base-Base interactions energy: -2031.774 where: short stacking energy: -861.034 Base-Backbone interact. energy: -5.663 local terms energy: -876.794618 where: bonds (distance) C4'-P energy: -157.734 bonds (distance) P-C4' energy: -153.013 flat angles C4'-P-C4' energy: -192.594 flat angles P-C4'-P energy: -114.357 tors. eta vs tors. theta energy: -259.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -2788.217996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2788.217996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2788.217996 (E_RNA) where: Base-Base interactions energy: -1945.655 where: short stacking energy: -810.436 Base-Backbone interact. energy: -0.096 local terms energy: -842.466771 where: bonds (distance) C4'-P energy: -148.322 bonds (distance) P-C4' energy: -167.299 flat angles C4'-P-C4' energy: -167.977 flat angles P-C4'-P energy: -117.203 tors. eta vs tors. theta energy: -241.666 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: 7 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -2693.577645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2693.577645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2693.577645 (E_RNA) where: Base-Base interactions energy: -1886.506 where: short stacking energy: -759.964 Base-Backbone interact. energy: -4.073 local terms energy: -802.998237 where: bonds (distance) C4'-P energy: -137.631 bonds (distance) P-C4' energy: -156.795 flat angles C4'-P-C4' energy: -185.687 flat angles P-C4'-P energy: -113.474 tors. eta vs tors. theta energy: -209.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -2497.080726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2497.080726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2497.080726 (E_RNA) where: Base-Base interactions energy: -1707.661 where: short stacking energy: -730.657 Base-Backbone interact. energy: -2.794 local terms energy: -786.626282 where: bonds (distance) C4'-P energy: -156.494 bonds (distance) P-C4' energy: -133.780 flat angles C4'-P-C4' energy: -188.771 flat angles P-C4'-P energy: -102.348 tors. eta vs tors. theta energy: -205.233 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: 9 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1927.303019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1927.303019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1927.303019 (E_RNA) where: Base-Base interactions energy: -1272.628 where: short stacking energy: -567.635 Base-Backbone interact. energy: 0.818 local terms energy: -655.493509 where: bonds (distance) C4'-P energy: -146.909 bonds (distance) P-C4' energy: -143.405 flat angles C4'-P-C4' energy: -153.053 flat angles P-C4'-P energy: -92.850 tors. eta vs tors. theta energy: -119.277 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: 9, replica: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -1658.784851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.784851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.784851 (E_RNA) where: Base-Base interactions energy: -1058.496 where: short stacking energy: -476.404 Base-Backbone interact. energy: 3.752 local terms energy: -604.040285 where: bonds (distance) C4'-P energy: -148.164 bonds (distance) P-C4' energy: -146.443 flat angles C4'-P-C4' energy: -142.870 flat angles P-C4'-P energy: -80.155 tors. eta vs tors. theta energy: -86.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -1135.589356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.589356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.589356 (E_RNA) where: Base-Base interactions energy: -618.960 where: short stacking energy: -327.249 Base-Backbone interact. energy: 4.748 local terms energy: -521.376981 where: bonds (distance) C4'-P energy: -140.307 bonds (distance) P-C4' energy: -157.861 flat angles C4'-P-C4' energy: -114.607 flat angles P-C4'-P energy: -88.059 tors. eta vs tors. theta energy: -20.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -3326.836092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3326.836092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3326.836092 (E_RNA) where: Base-Base interactions energy: -2344.091 where: short stacking energy: -987.849 Base-Backbone interact. energy: -2.592 local terms energy: -980.152993 where: bonds (distance) C4'-P energy: -171.586 bonds (distance) P-C4' energy: -169.268 flat angles C4'-P-C4' energy: -216.196 flat angles P-C4'-P energy: -137.721 tors. eta vs tors. theta energy: -285.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -3229.682742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.682742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.682742 (E_RNA) where: Base-Base interactions energy: -2287.642 where: short stacking energy: -945.720 Base-Backbone interact. energy: -4.300 local terms energy: -937.741025 where: bonds (distance) C4'-P energy: -155.396 bonds (distance) P-C4' energy: -182.506 flat angles C4'-P-C4' energy: -200.082 flat angles P-C4'-P energy: -133.717 tors. eta vs tors. theta energy: -266.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -3148.812247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3148.812247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3148.812247 (E_RNA) where: Base-Base interactions energy: -2197.538 where: short stacking energy: -985.952 Base-Backbone interact. energy: -4.386 local terms energy: -946.887716 where: bonds (distance) C4'-P energy: -159.406 bonds (distance) P-C4' energy: -174.899 flat angles C4'-P-C4' energy: -204.720 flat angles P-C4'-P energy: -130.807 tors. eta vs tors. theta energy: -277.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -2929.302438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2929.302438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2929.302438 (E_RNA) where: Base-Base interactions energy: -2032.709 where: short stacking energy: -840.833 Base-Backbone interact. energy: -4.869 local terms energy: -891.724384 where: bonds (distance) C4'-P energy: -163.423 bonds (distance) P-C4' energy: -180.197 flat angles C4'-P-C4' energy: -181.033 flat angles P-C4'-P energy: -121.923 tors. eta vs tors. theta energy: -245.149 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: 412 Temperature: 1.100000 Total energy: -2714.207089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2714.207089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2714.207089 (E_RNA) where: Base-Base interactions energy: -1864.296 where: short stacking energy: -781.113 Base-Backbone interact. energy: -0.796 local terms energy: -849.114711 where: bonds (distance) C4'-P energy: -175.812 bonds (distance) P-C4' energy: -149.731 flat angles C4'-P-C4' energy: -183.838 flat angles P-C4'-P energy: -114.461 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: 6, replica: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -2643.445619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.445619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.445619 (E_RNA) where: Base-Base interactions energy: -1841.567 where: short stacking energy: -782.084 Base-Backbone interact. energy: -1.242 local terms energy: -800.636894 where: bonds (distance) C4'-P energy: -154.182 bonds (distance) P-C4' energy: -144.417 flat angles C4'-P-C4' energy: -171.174 flat angles P-C4'-P energy: -119.104 tors. eta vs tors. theta energy: -211.759 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: 7, replica: 3 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -2474.686548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2474.686548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2474.686548 (E_RNA) where: Base-Base interactions energy: -1721.345 where: short stacking energy: -739.568 Base-Backbone interact. energy: -3.506 local terms energy: -749.834797 where: bonds (distance) C4'-P energy: -161.417 bonds (distance) P-C4' energy: -139.053 flat angles C4'-P-C4' energy: -153.404 flat angles P-C4'-P energy: -103.200 tors. eta vs tors. theta energy: -192.761 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: 9 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1998.365468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1998.365468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1998.365468 (E_RNA) where: Base-Base interactions energy: -1328.142 where: short stacking energy: -585.470 Base-Backbone interact. energy: 0.151 local terms energy: -670.374066 where: bonds (distance) C4'-P energy: -110.396 bonds (distance) P-C4' energy: -162.933 flat angles C4'-P-C4' energy: -164.930 flat angles P-C4'-P energy: -101.825 tors. eta vs tors. theta energy: -130.289 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: 5 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -1585.674039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.674039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.674039 (E_RNA) where: Base-Base interactions energy: -1005.011 where: short stacking energy: -429.519 Base-Backbone interact. energy: -0.462 local terms energy: -580.201928 where: bonds (distance) C4'-P energy: -126.513 bonds (distance) P-C4' energy: -144.860 flat angles C4'-P-C4' energy: -149.889 flat angles P-C4'-P energy: -93.341 tors. eta vs tors. theta energy: -65.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -1097.328984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.328984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.328984 (E_RNA) where: Base-Base interactions energy: -626.509 where: short stacking energy: -322.023 Base-Backbone interact. energy: 4.774 local terms energy: -475.593702 where: bonds (distance) C4'-P energy: -125.053 bonds (distance) P-C4' energy: -136.796 flat angles C4'-P-C4' energy: -147.156 flat angles P-C4'-P energy: -53.359 tors. eta vs tors. theta energy: -13.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -3330.055961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3330.055961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3330.055961 (E_RNA) where: Base-Base interactions energy: -2344.243 where: short stacking energy: -979.181 Base-Backbone interact. energy: -2.548 local terms energy: -983.264905 where: bonds (distance) C4'-P energy: -177.311 bonds (distance) P-C4' energy: -171.273 flat angles C4'-P-C4' energy: -212.624 flat angles P-C4'-P energy: -148.932 tors. eta vs tors. theta energy: -273.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -3172.814295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3172.814295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3172.814295 (E_RNA) where: Base-Base interactions energy: -2218.982 where: short stacking energy: -923.033 Base-Backbone interact. energy: -0.555 local terms energy: -953.277037 where: bonds (distance) C4'-P energy: -179.541 bonds (distance) P-C4' energy: -179.942 flat angles C4'-P-C4' energy: -199.706 flat angles P-C4'-P energy: -126.612 tors. eta vs tors. theta energy: -267.476 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: 413 Temperature: 1.000000 Total energy: -3054.241896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3054.241896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3054.241896 (E_RNA) where: Base-Base interactions energy: -2114.563 where: short stacking energy: -892.762 Base-Backbone interact. energy: -0.343 local terms energy: -939.336391 where: bonds (distance) C4'-P energy: -162.388 bonds (distance) P-C4' energy: -182.943 flat angles C4'-P-C4' energy: -197.920 flat angles P-C4'-P energy: -126.149 tors. eta vs tors. theta energy: -269.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -2945.015564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.015564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.015564 (E_RNA) where: Base-Base interactions energy: -2038.546 where: short stacking energy: -868.786 Base-Backbone interact. energy: -2.609 local terms energy: -903.860178 where: bonds (distance) C4'-P energy: -162.336 bonds (distance) P-C4' energy: -175.660 flat angles C4'-P-C4' energy: -190.144 flat angles P-C4'-P energy: -116.551 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: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -2780.084229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.084229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.084229 (E_RNA) where: Base-Base interactions energy: -1900.042 where: short stacking energy: -805.302 Base-Backbone interact. energy: 3.571 local terms energy: -883.612935 where: bonds (distance) C4'-P energy: -153.949 bonds (distance) P-C4' energy: -180.161 flat angles C4'-P-C4' energy: -189.821 flat angles P-C4'-P energy: -131.982 tors. eta vs tors. theta energy: -227.700 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: 7 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -2659.025939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2659.025939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2659.025939 (E_RNA) where: Base-Base interactions energy: -1865.919 where: short stacking energy: -751.061 Base-Backbone interact. energy: -2.588 local terms energy: -790.518293 where: bonds (distance) C4'-P energy: -134.892 bonds (distance) P-C4' energy: -153.926 flat angles C4'-P-C4' energy: -171.848 flat angles P-C4'-P energy: -118.604 tors. eta vs tors. theta energy: -211.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -2525.100603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.100603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.100603 (E_RNA) where: Base-Base interactions energy: -1714.096 where: short stacking energy: -747.032 Base-Backbone interact. energy: -0.454 local terms energy: -810.550352 where: bonds (distance) C4'-P energy: -140.949 bonds (distance) P-C4' energy: -161.919 flat angles C4'-P-C4' energy: -181.998 flat angles P-C4'-P energy: -106.059 tors. eta vs tors. theta energy: -219.625 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: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -2022.678676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2022.678676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2022.678676 (E_RNA) where: Base-Base interactions energy: -1394.571 where: short stacking energy: -609.855 Base-Backbone interact. energy: 0.646 local terms energy: -628.753816 where: bonds (distance) C4'-P energy: -116.023 bonds (distance) P-C4' energy: -166.129 flat angles C4'-P-C4' energy: -160.612 flat angles P-C4'-P energy: -75.312 tors. eta vs tors. theta energy: -110.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -1638.489677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.489677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.489677 (E_RNA) where: Base-Base interactions energy: -1036.075 where: short stacking energy: -479.190 Base-Backbone interact. energy: 6.407 local terms energy: -608.822167 where: bonds (distance) C4'-P energy: -138.119 bonds (distance) P-C4' energy: -145.043 flat angles C4'-P-C4' energy: -151.445 flat angles P-C4'-P energy: -95.981 tors. eta vs tors. theta energy: -78.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -1086.915587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.915587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.915587 (E_RNA) where: Base-Base interactions energy: -576.022 where: short stacking energy: -327.452 Base-Backbone interact. energy: -5.475 local terms energy: -505.418409 where: bonds (distance) C4'-P energy: -146.569 bonds (distance) P-C4' energy: -154.188 flat angles C4'-P-C4' energy: -109.338 flat angles P-C4'-P energy: -74.180 tors. eta vs tors. theta energy: -21.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -3299.742370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3299.742370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3299.742370 (E_RNA) where: Base-Base interactions energy: -2306.881 where: short stacking energy: -975.393 Base-Backbone interact. energy: -1.577 local terms energy: -991.284299 where: bonds (distance) C4'-P energy: -185.145 bonds (distance) P-C4' energy: -175.273 flat angles C4'-P-C4' energy: -208.207 flat angles P-C4'-P energy: -147.897 tors. eta vs tors. theta energy: -274.763 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: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -3167.387817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3167.387817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3167.387817 (E_RNA) where: Base-Base interactions energy: -2225.340 where: short stacking energy: -956.767 Base-Backbone interact. energy: -2.423 local terms energy: -939.623877 where: bonds (distance) C4'-P energy: -159.916 bonds (distance) P-C4' energy: -177.479 flat angles C4'-P-C4' energy: -207.430 flat angles P-C4'-P energy: -136.325 tors. eta vs tors. theta energy: -258.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -3045.180513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.180513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.180513 (E_RNA) where: Base-Base interactions energy: -2118.765 where: short stacking energy: -905.597 Base-Backbone interact. energy: -3.342 local terms energy: -923.073672 where: bonds (distance) C4'-P energy: -146.844 bonds (distance) P-C4' energy: -163.283 flat angles C4'-P-C4' energy: -207.855 flat angles P-C4'-P energy: -134.815 tors. eta vs tors. theta energy: -270.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -2903.955760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.955760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.955760 (E_RNA) where: Base-Base interactions energy: -2001.685 where: short stacking energy: -839.832 Base-Backbone interact. energy: -5.024 local terms energy: -897.246843 where: bonds (distance) C4'-P energy: -150.686 bonds (distance) P-C4' energy: -153.849 flat angles C4'-P-C4' energy: -206.741 flat angles P-C4'-P energy: -137.123 tors. eta vs tors. theta energy: -248.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -2732.608558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2732.608558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2732.608558 (E_RNA) where: Base-Base interactions energy: -1914.309 where: short stacking energy: -821.516 Base-Backbone interact. energy: 1.630 local terms energy: -819.929425 where: bonds (distance) C4'-P energy: -141.270 bonds (distance) P-C4' energy: -160.555 flat angles C4'-P-C4' energy: -192.135 flat angles P-C4'-P energy: -100.037 tors. eta vs tors. theta energy: -225.932 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: 6, replica: 7 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -2620.715016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.715016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.715016 (E_RNA) where: Base-Base interactions energy: -1832.591 where: short stacking energy: -782.418 Base-Backbone interact. energy: -4.408 local terms energy: -783.715480 where: bonds (distance) C4'-P energy: -148.694 bonds (distance) P-C4' energy: -146.189 flat angles C4'-P-C4' energy: -167.366 flat angles P-C4'-P energy: -119.848 tors. eta vs tors. theta energy: -201.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -2469.686092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.686092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.686092 (E_RNA) where: Base-Base interactions energy: -1702.158 where: short stacking energy: -722.555 Base-Backbone interact. energy: 0.189 local terms energy: -767.716958 where: bonds (distance) C4'-P energy: -152.782 bonds (distance) P-C4' energy: -151.319 flat angles C4'-P-C4' energy: -167.446 flat angles P-C4'-P energy: -111.476 tors. eta vs tors. theta energy: -184.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1976.330616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1976.330616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1976.330616 (E_RNA) where: Base-Base interactions energy: -1318.656 where: short stacking energy: -591.791 Base-Backbone interact. energy: 2.507 local terms energy: -660.181503 where: bonds (distance) C4'-P energy: -137.117 bonds (distance) P-C4' energy: -145.602 flat angles C4'-P-C4' energy: -157.318 flat angles P-C4'-P energy: -92.986 tors. eta vs tors. theta energy: -127.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -1621.876088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.876088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.876088 (E_RNA) where: Base-Base interactions energy: -1035.071 where: short stacking energy: -474.357 Base-Backbone interact. energy: 2.067 local terms energy: -588.871783 where: bonds (distance) C4'-P energy: -143.291 bonds (distance) P-C4' energy: -136.076 flat angles C4'-P-C4' energy: -152.061 flat angles P-C4'-P energy: -68.972 tors. eta vs tors. theta energy: -88.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -1044.027216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.027216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.027216 (E_RNA) where: Base-Base interactions energy: -549.534 where: short stacking energy: -304.602 Base-Backbone interact. energy: 3.310 local terms energy: -497.803806 where: bonds (distance) C4'-P energy: -136.302 bonds (distance) P-C4' energy: -148.254 flat angles C4'-P-C4' energy: -128.170 flat angles P-C4'-P energy: -74.269 tors. eta vs tors. theta energy: -10.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -3306.141317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3306.141317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3306.141317 (E_RNA) where: Base-Base interactions energy: -2319.349 where: short stacking energy: -961.397 Base-Backbone interact. energy: -7.287 local terms energy: -979.505336 where: bonds (distance) C4'-P energy: -175.598 bonds (distance) P-C4' energy: -188.423 flat angles C4'-P-C4' energy: -208.717 flat angles P-C4'-P energy: -139.860 tors. eta vs tors. theta energy: -266.907 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: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -3181.490769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3181.490769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3181.490769 (E_RNA) where: Base-Base interactions energy: -2221.063 where: short stacking energy: -911.736 Base-Backbone interact. energy: -4.869 local terms energy: -955.559526 where: bonds (distance) C4'-P energy: -170.933 bonds (distance) P-C4' energy: -183.851 flat angles C4'-P-C4' energy: -203.262 flat angles P-C4'-P energy: -137.328 tors. eta vs tors. theta energy: -260.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -3056.017393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.017393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.017393 (E_RNA) where: Base-Base interactions energy: -2141.640 where: short stacking energy: -919.602 Base-Backbone interact. energy: -2.165 local terms energy: -912.212796 where: bonds (distance) C4'-P energy: -146.719 bonds (distance) P-C4' energy: -160.609 flat angles C4'-P-C4' energy: -199.681 flat angles P-C4'-P energy: -146.006 tors. eta vs tors. theta energy: -259.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -2906.716279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2906.716279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2906.716279 (E_RNA) where: Base-Base interactions energy: -1982.031 where: short stacking energy: -840.207 Base-Backbone interact. energy: -3.718 local terms energy: -920.966887 where: bonds (distance) C4'-P energy: -160.848 bonds (distance) P-C4' energy: -170.205 flat angles C4'-P-C4' energy: -190.936 flat angles P-C4'-P energy: -133.582 tors. eta vs tors. theta energy: -265.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -2712.977542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2712.977542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2712.977542 (E_RNA) where: Base-Base interactions energy: -1890.764 where: short stacking energy: -775.601 Base-Backbone interact. energy: 3.264 local terms energy: -825.478025 where: bonds (distance) C4'-P energy: -144.271 bonds (distance) P-C4' energy: -159.279 flat angles C4'-P-C4' energy: -186.124 flat angles P-C4'-P energy: -106.334 tors. eta vs tors. theta energy: -229.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -2583.404462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2583.404462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2583.404462 (E_RNA) where: Base-Base interactions energy: -1789.777 where: short stacking energy: -732.919 Base-Backbone interact. energy: -6.476 local terms energy: -787.151159 where: bonds (distance) C4'-P energy: -135.283 bonds (distance) P-C4' energy: -173.536 flat angles C4'-P-C4' energy: -173.101 flat angles P-C4'-P energy: -113.229 tors. eta vs tors. theta energy: -192.002 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: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -2507.196709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2507.196709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2507.196709 (E_RNA) where: Base-Base interactions energy: -1723.665 where: short stacking energy: -719.397 Base-Backbone interact. energy: -0.140 local terms energy: -783.392216 where: bonds (distance) C4'-P energy: -154.020 bonds (distance) P-C4' energy: -131.648 flat angles C4'-P-C4' energy: -161.870 flat angles P-C4'-P energy: -123.079 tors. eta vs tors. theta energy: -212.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1978.100644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1978.100644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1978.100644 (E_RNA) where: Base-Base interactions energy: -1307.923 where: short stacking energy: -589.558 Base-Backbone interact. energy: 1.515 local terms energy: -671.692508 where: bonds (distance) C4'-P energy: -146.142 bonds (distance) P-C4' energy: -145.339 flat angles C4'-P-C4' energy: -157.721 flat angles P-C4'-P energy: -93.873 tors. eta vs tors. theta energy: -128.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -1703.462335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.462335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.462335 (E_RNA) where: Base-Base interactions energy: -1078.581 where: short stacking energy: -474.101 Base-Backbone interact. energy: 2.850 local terms energy: -627.732028 where: bonds (distance) C4'-P energy: -137.217 bonds (distance) P-C4' energy: -147.146 flat angles C4'-P-C4' energy: -170.643 flat angles P-C4'-P energy: -93.573 tors. eta vs tors. theta energy: -79.152 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: 10, replica: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -1094.486606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.486606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.486606 (E_RNA) where: Base-Base interactions energy: -572.379 where: short stacking energy: -313.970 Base-Backbone interact. energy: 0.197 local terms energy: -522.304818 where: bonds (distance) C4'-P energy: -136.923 bonds (distance) P-C4' energy: -156.033 flat angles C4'-P-C4' energy: -123.672 flat angles P-C4'-P energy: -72.327 tors. eta vs tors. theta energy: -33.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -3320.157757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3320.157757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3320.157757 (E_RNA) where: Base-Base interactions energy: -2333.880 where: short stacking energy: -973.344 Base-Backbone interact. energy: -3.597 local terms energy: -982.680020 where: bonds (distance) C4'-P energy: -183.812 bonds (distance) P-C4' energy: -176.588 flat angles C4'-P-C4' energy: -206.775 flat angles P-C4'-P energy: -136.293 tors. eta vs tors. theta energy: -279.212 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: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -3229.346234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.346234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.346234 (E_RNA) where: Base-Base interactions energy: -2258.024 where: short stacking energy: -975.297 Base-Backbone interact. energy: -4.422 local terms energy: -966.900270 where: bonds (distance) C4'-P energy: -182.951 bonds (distance) P-C4' energy: -167.435 flat angles C4'-P-C4' energy: -202.571 flat angles P-C4'-P energy: -129.020 tors. eta vs tors. theta energy: -284.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -3035.750807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3035.750807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3035.750807 (E_RNA) where: Base-Base interactions energy: -2100.838 where: short stacking energy: -909.778 Base-Backbone interact. energy: -2.302 local terms energy: -932.610360 where: bonds (distance) C4'-P energy: -170.919 bonds (distance) P-C4' energy: -176.716 flat angles C4'-P-C4' energy: -203.518 flat angles P-C4'-P energy: -130.461 tors. eta vs tors. theta energy: -250.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -2831.513641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2831.513641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2831.513641 (E_RNA) where: Base-Base interactions energy: -1977.880 where: short stacking energy: -836.594 Base-Backbone interact. energy: -6.504 local terms energy: -847.129545 where: bonds (distance) C4'-P energy: -159.005 bonds (distance) P-C4' energy: -155.827 flat angles C4'-P-C4' energy: -182.258 flat angles P-C4'-P energy: -118.603 tors. eta vs tors. theta energy: -231.436 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: 5, replica: 4 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -2753.124180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.124180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.124180 (E_RNA) where: Base-Base interactions energy: -1908.005 where: short stacking energy: -795.842 Base-Backbone interact. energy: 2.204 local terms energy: -847.322674 where: bonds (distance) C4'-P energy: -156.251 bonds (distance) P-C4' energy: -168.842 flat angles C4'-P-C4' energy: -189.050 flat angles P-C4'-P energy: -110.450 tors. eta vs tors. theta energy: -222.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -2617.320175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.320175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.320175 (E_RNA) where: Base-Base interactions energy: -1827.468 where: short stacking energy: -751.283 Base-Backbone interact. energy: 4.306 local terms energy: -794.158577 where: bonds (distance) C4'-P energy: -156.565 bonds (distance) P-C4' energy: -151.592 flat angles C4'-P-C4' energy: -179.414 flat angles P-C4'-P energy: -103.235 tors. eta vs tors. theta energy: -203.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -2491.694888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2491.694888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2491.694888 (E_RNA) where: Base-Base interactions energy: -1692.898 where: short stacking energy: -739.129 Base-Backbone interact. energy: 0.928 local terms energy: -799.725251 where: bonds (distance) C4'-P energy: -160.163 bonds (distance) P-C4' energy: -152.441 flat angles C4'-P-C4' energy: -180.420 flat angles P-C4'-P energy: -112.884 tors. eta vs tors. theta energy: -193.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1959.910875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1959.910875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1959.910875 (E_RNA) where: Base-Base interactions energy: -1310.863 where: short stacking energy: -565.316 Base-Backbone interact. energy: -3.498 local terms energy: -645.549925 where: bonds (distance) C4'-P energy: -158.767 bonds (distance) P-C4' energy: -132.464 flat angles C4'-P-C4' energy: -150.154 flat angles P-C4'-P energy: -94.717 tors. eta vs tors. theta energy: -109.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -1674.429108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.429108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.429108 (E_RNA) where: Base-Base interactions energy: -1085.794 where: short stacking energy: -496.140 Base-Backbone interact. energy: -1.378 local terms energy: -587.256489 where: bonds (distance) C4'-P energy: -136.808 bonds (distance) P-C4' energy: -153.027 flat angles C4'-P-C4' energy: -162.192 flat angles P-C4'-P energy: -56.390 tors. eta vs tors. theta energy: -78.839 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: 10, replica: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -1056.945598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.945598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.945598 (E_RNA) where: Base-Base interactions energy: -568.140 where: short stacking energy: -297.115 Base-Backbone interact. energy: -0.282 local terms energy: -488.523605 where: bonds (distance) C4'-P energy: -151.987 bonds (distance) P-C4' energy: -155.277 flat angles C4'-P-C4' energy: -111.564 flat angles P-C4'-P energy: -74.622 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: 2 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -3314.570778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3314.570778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3314.570778 (E_RNA) where: Base-Base interactions energy: -2311.290 where: short stacking energy: -964.156 Base-Backbone interact. energy: -2.042 local terms energy: -1001.239119 where: bonds (distance) C4'-P energy: -174.520 bonds (distance) P-C4' energy: -188.001 flat angles C4'-P-C4' energy: -208.360 flat angles P-C4'-P energy: -152.282 tors. eta vs tors. theta energy: -278.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -3228.081078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.081078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.081078 (E_RNA) where: Base-Base interactions energy: -2271.840 where: short stacking energy: -967.575 Base-Backbone interact. energy: -1.936 local terms energy: -954.304995 where: bonds (distance) C4'-P energy: -175.056 bonds (distance) P-C4' energy: -173.205 flat angles C4'-P-C4' energy: -210.013 flat angles P-C4'-P energy: -126.704 tors. eta vs tors. theta energy: -269.327 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: 1 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -3022.053681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.053681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.053681 (E_RNA) where: Base-Base interactions energy: -2101.974 where: short stacking energy: -897.530 Base-Backbone interact. energy: -4.735 local terms energy: -915.344550 where: bonds (distance) C4'-P energy: -176.930 bonds (distance) P-C4' energy: -169.371 flat angles C4'-P-C4' energy: -188.266 flat angles P-C4'-P energy: -128.331 tors. eta vs tors. theta energy: -252.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -2922.129129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.129129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.129129 (E_RNA) where: Base-Base interactions energy: -2064.304 where: short stacking energy: -829.905 Base-Backbone interact. energy: 3.185 local terms energy: -861.009421 where: bonds (distance) C4'-P energy: -146.173 bonds (distance) P-C4' energy: -169.950 flat angles C4'-P-C4' energy: -186.753 flat angles P-C4'-P energy: -117.566 tors. eta vs tors. theta energy: -240.568 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: 417 Temperature: 1.100000 Total energy: -2724.343027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2724.343027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2724.343027 (E_RNA) where: Base-Base interactions energy: -1878.636 where: short stacking energy: -766.732 Base-Backbone interact. energy: 2.911 local terms energy: -848.617818 where: bonds (distance) C4'-P energy: -151.610 bonds (distance) P-C4' energy: -171.602 flat angles C4'-P-C4' energy: -195.711 flat angles P-C4'-P energy: -108.979 tors. eta vs tors. theta energy: -220.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -2525.791636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2525.791636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2525.791636 (E_RNA) where: Base-Base interactions energy: -1713.982 where: short stacking energy: -710.145 Base-Backbone interact. energy: -1.633 local terms energy: -810.176225 where: bonds (distance) C4'-P energy: -154.101 bonds (distance) P-C4' energy: -171.981 flat angles C4'-P-C4' energy: -191.859 flat angles P-C4'-P energy: -107.341 tors. eta vs tors. theta energy: -184.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -2458.701690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2458.701690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2458.701690 (E_RNA) where: Base-Base interactions energy: -1706.252 where: short stacking energy: -723.871 Base-Backbone interact. energy: 0.143 local terms energy: -752.592996 where: bonds (distance) C4'-P energy: -148.429 bonds (distance) P-C4' energy: -145.291 flat angles C4'-P-C4' energy: -166.140 flat angles P-C4'-P energy: -103.271 tors. eta vs tors. theta energy: -189.461 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: 9 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -2014.537244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2014.537244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2014.537244 (E_RNA) where: Base-Base interactions energy: -1370.305 where: short stacking energy: -613.657 Base-Backbone interact. energy: -1.901 local terms energy: -642.330943 where: bonds (distance) C4'-P energy: -131.267 bonds (distance) P-C4' energy: -135.302 flat angles C4'-P-C4' energy: -150.111 flat angles P-C4'-P energy: -101.600 tors. eta vs tors. theta energy: -124.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -1712.782282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.782282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.782282 (E_RNA) where: Base-Base interactions energy: -1073.464 where: short stacking energy: -481.624 Base-Backbone interact. energy: -1.714 local terms energy: -637.604996 where: bonds (distance) C4'-P energy: -150.982 bonds (distance) P-C4' energy: -160.259 flat angles C4'-P-C4' energy: -146.236 flat angles P-C4'-P energy: -94.880 tors. eta vs tors. theta energy: -85.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -1089.343337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.343337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.343337 (E_RNA) where: Base-Base interactions energy: -584.301 where: short stacking energy: -332.523 Base-Backbone interact. energy: -2.806 local terms energy: -502.236049 where: bonds (distance) C4'-P energy: -145.199 bonds (distance) P-C4' energy: -141.175 flat angles C4'-P-C4' energy: -117.012 flat angles P-C4'-P energy: -71.696 tors. eta vs tors. theta energy: -27.154 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: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -3307.069842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3307.069842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3307.069842 (E_RNA) where: Base-Base interactions energy: -2306.811 where: short stacking energy: -957.518 Base-Backbone interact. energy: -4.453 local terms energy: -995.805484 where: bonds (distance) C4'-P energy: -185.885 bonds (distance) P-C4' energy: -192.579 flat angles C4'-P-C4' energy: -193.049 flat angles P-C4'-P energy: -141.194 tors. eta vs tors. theta energy: -283.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -3214.075749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.075749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.075749 (E_RNA) where: Base-Base interactions energy: -2256.784 where: short stacking energy: -960.718 Base-Backbone interact. energy: -2.163 local terms energy: -955.127764 where: bonds (distance) C4'-P energy: -172.474 bonds (distance) P-C4' energy: -188.117 flat angles C4'-P-C4' energy: -212.809 flat angles P-C4'-P energy: -117.102 tors. eta vs tors. theta energy: -264.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -3062.428885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.428885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.428885 (E_RNA) where: Base-Base interactions energy: -2127.987 where: short stacking energy: -924.150 Base-Backbone interact. energy: -3.552 local terms energy: -930.889508 where: bonds (distance) C4'-P energy: -177.279 bonds (distance) P-C4' energy: -173.171 flat angles C4'-P-C4' energy: -198.125 flat angles P-C4'-P energy: -124.274 tors. eta vs tors. theta energy: -258.041 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: 8 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -2893.376569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.376569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.376569 (E_RNA) where: Base-Base interactions energy: -1995.266 where: short stacking energy: -851.576 Base-Backbone interact. energy: -1.876 local terms energy: -896.234536 where: bonds (distance) C4'-P energy: -165.211 bonds (distance) P-C4' energy: -171.080 flat angles C4'-P-C4' energy: -180.445 flat angles P-C4'-P energy: -126.735 tors. eta vs tors. theta energy: -252.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -2725.694284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2725.694284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2725.694284 (E_RNA) where: Base-Base interactions energy: -1898.662 where: short stacking energy: -824.979 Base-Backbone interact. energy: -4.077 local terms energy: -822.955482 where: bonds (distance) C4'-P energy: -156.951 bonds (distance) P-C4' energy: -150.572 flat angles C4'-P-C4' energy: -187.571 flat angles P-C4'-P energy: -102.203 tors. eta vs tors. theta energy: -225.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -2612.389458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.389458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.389458 (E_RNA) where: Base-Base interactions energy: -1796.409 where: short stacking energy: -788.665 Base-Backbone interact. energy: -4.326 local terms energy: -811.654283 where: bonds (distance) C4'-P energy: -146.821 bonds (distance) P-C4' energy: -169.805 flat angles C4'-P-C4' energy: -170.152 flat angles P-C4'-P energy: -110.854 tors. eta vs tors. theta energy: -214.023 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: 3 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -2443.771256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.771256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.771256 (E_RNA) where: Base-Base interactions energy: -1677.852 where: short stacking energy: -742.382 Base-Backbone interact. energy: 7.444 local terms energy: -773.362496 where: bonds (distance) C4'-P energy: -159.572 bonds (distance) P-C4' energy: -151.647 flat angles C4'-P-C4' energy: -166.906 flat angles P-C4'-P energy: -108.548 tors. eta vs tors. theta energy: -186.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1999.438994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1999.438994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1999.438994 (E_RNA) where: Base-Base interactions energy: -1328.404 where: short stacking energy: -563.072 Base-Backbone interact. energy: 0.520 local terms energy: -671.554410 where: bonds (distance) C4'-P energy: -159.287 bonds (distance) P-C4' energy: -128.146 flat angles C4'-P-C4' energy: -164.940 flat angles P-C4'-P energy: -100.160 tors. eta vs tors. theta energy: -119.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -1624.142187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.142187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.142187 (E_RNA) where: Base-Base interactions energy: -1056.493 where: short stacking energy: -482.848 Base-Backbone interact. energy: -1.224 local terms energy: -566.425643 where: bonds (distance) C4'-P energy: -136.648 bonds (distance) P-C4' energy: -137.118 flat angles C4'-P-C4' energy: -128.631 flat angles P-C4'-P energy: -94.523 tors. eta vs tors. theta energy: -69.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -1039.009093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.009093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.009093 (E_RNA) where: Base-Base interactions energy: -532.913 where: short stacking energy: -286.787 Base-Backbone interact. energy: 12.451 local terms energy: -518.547015 where: bonds (distance) C4'-P energy: -145.083 bonds (distance) P-C4' energy: -172.838 flat angles C4'-P-C4' energy: -142.285 flat angles P-C4'-P energy: -43.169 tors. eta vs tors. theta energy: -15.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -3320.600790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3320.600790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3320.600790 (E_RNA) where: Base-Base interactions energy: -2320.357 where: short stacking energy: -975.226 Base-Backbone interact. energy: -1.189 local terms energy: -999.054568 where: bonds (distance) C4'-P energy: -180.899 bonds (distance) P-C4' energy: -191.526 flat angles C4'-P-C4' energy: -201.384 flat angles P-C4'-P energy: -143.873 tors. eta vs tors. theta energy: -281.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -3195.090017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3195.090017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3195.090017 (E_RNA) where: Base-Base interactions energy: -2245.513 where: short stacking energy: -940.597 Base-Backbone interact. energy: -2.037 local terms energy: -947.540279 where: bonds (distance) C4'-P energy: -179.427 bonds (distance) P-C4' energy: -165.028 flat angles C4'-P-C4' energy: -208.907 flat angles P-C4'-P energy: -139.959 tors. eta vs tors. theta energy: -254.219 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: 3, replica: 1 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -3057.196991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.196991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.196991 (E_RNA) where: Base-Base interactions energy: -2124.061 where: short stacking energy: -908.900 Base-Backbone interact. energy: -5.071 local terms energy: -928.064669 where: bonds (distance) C4'-P energy: -161.487 bonds (distance) P-C4' energy: -177.272 flat angles C4'-P-C4' energy: -201.258 flat angles P-C4'-P energy: -118.345 tors. eta vs tors. theta energy: -269.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -2921.779749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.779749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.779749 (E_RNA) where: Base-Base interactions energy: -2019.065 where: short stacking energy: -867.161 Base-Backbone interact. energy: -5.971 local terms energy: -896.744119 where: bonds (distance) C4'-P energy: -173.510 bonds (distance) P-C4' energy: -151.819 flat angles C4'-P-C4' energy: -189.552 flat angles P-C4'-P energy: -134.622 tors. eta vs tors. theta energy: -247.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -2723.650306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2723.650306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2723.650306 (E_RNA) where: Base-Base interactions energy: -1884.207 where: short stacking energy: -791.739 Base-Backbone interact. energy: -5.989 local terms energy: -833.454281 where: bonds (distance) C4'-P energy: -147.878 bonds (distance) P-C4' energy: -169.666 flat angles C4'-P-C4' energy: -186.364 flat angles P-C4'-P energy: -107.507 tors. eta vs tors. theta energy: -222.039 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: 6, replica: 7 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -2612.810904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.810904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.810904 (E_RNA) where: Base-Base interactions energy: -1793.242 where: short stacking energy: -778.319 Base-Backbone interact. energy: -2.704 local terms energy: -816.864635 where: bonds (distance) C4'-P energy: -151.862 bonds (distance) P-C4' energy: -164.614 flat angles C4'-P-C4' energy: -186.312 flat angles P-C4'-P energy: -116.035 tors. eta vs tors. theta energy: -198.041 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: 7, replica: 3 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -2427.547548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2427.547548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2427.547548 (E_RNA) where: Base-Base interactions energy: -1662.998 where: short stacking energy: -690.570 Base-Backbone interact. energy: -3.049 local terms energy: -761.500875 where: bonds (distance) C4'-P energy: -161.627 bonds (distance) P-C4' energy: -169.272 flat angles C4'-P-C4' energy: -147.451 flat angles P-C4'-P energy: -107.812 tors. eta vs tors. theta energy: -175.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1974.287690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1974.287690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1974.287690 (E_RNA) where: Base-Base interactions energy: -1285.630 where: short stacking energy: -568.351 Base-Backbone interact. energy: -1.225 local terms energy: -687.432302 where: bonds (distance) C4'-P energy: -148.953 bonds (distance) P-C4' energy: -154.513 flat angles C4'-P-C4' energy: -165.795 flat angles P-C4'-P energy: -100.836 tors. eta vs tors. theta energy: -117.336 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: 5 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -1572.333756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.333756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.333756 (E_RNA) where: Base-Base interactions energy: -971.151 where: short stacking energy: -457.520 Base-Backbone interact. energy: 6.412 local terms energy: -607.595417 where: bonds (distance) C4'-P energy: -147.211 bonds (distance) P-C4' energy: -152.579 flat angles C4'-P-C4' energy: -150.453 flat angles P-C4'-P energy: -77.281 tors. eta vs tors. theta energy: -80.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -1062.275411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.275411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.275411 (E_RNA) where: Base-Base interactions energy: -601.793 where: short stacking energy: -338.441 Base-Backbone interact. energy: -2.988 local terms energy: -457.494510 where: bonds (distance) C4'-P energy: -117.488 bonds (distance) P-C4' energy: -127.912 flat angles C4'-P-C4' energy: -123.020 flat angles P-C4'-P energy: -63.247 tors. eta vs tors. theta energy: -25.827 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: 2 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -3278.532767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3278.532767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3278.532767 (E_RNA) where: Base-Base interactions energy: -2317.711 where: short stacking energy: -946.729 Base-Backbone interact. energy: -2.802 local terms energy: -958.020432 where: bonds (distance) C4'-P energy: -170.758 bonds (distance) P-C4' energy: -180.487 flat angles C4'-P-C4' energy: -193.499 flat angles P-C4'-P energy: -144.146 tors. eta vs tors. theta energy: -269.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -3211.628753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.628753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.628753 (E_RNA) where: Base-Base interactions energy: -2249.933 where: short stacking energy: -949.139 Base-Backbone interact. energy: -1.831 local terms energy: -959.864441 where: bonds (distance) C4'-P energy: -161.259 bonds (distance) P-C4' energy: -172.015 flat angles C4'-P-C4' energy: -214.257 flat angles P-C4'-P energy: -146.093 tors. eta vs tors. theta energy: -266.241 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: 3, replica: 1 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -3070.295668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.295668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.295668 (E_RNA) where: Base-Base interactions energy: -2134.032 where: short stacking energy: -913.726 Base-Backbone interact. energy: -3.231 local terms energy: -933.032695 where: bonds (distance) C4'-P energy: -152.893 bonds (distance) P-C4' energy: -175.167 flat angles C4'-P-C4' energy: -207.502 flat angles P-C4'-P energy: -115.788 tors. eta vs tors. theta energy: -281.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -2954.604556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.604556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.604556 (E_RNA) where: Base-Base interactions energy: -2080.031 where: short stacking energy: -878.874 Base-Backbone interact. energy: -4.571 local terms energy: -870.002188 where: bonds (distance) C4'-P energy: -147.042 bonds (distance) P-C4' energy: -160.749 flat angles C4'-P-C4' energy: -187.143 flat angles P-C4'-P energy: -123.954 tors. eta vs tors. theta energy: -251.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -2740.160643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2740.160643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2740.160643 (E_RNA) where: Base-Base interactions energy: -1899.187 where: short stacking energy: -805.732 Base-Backbone interact. energy: -3.942 local terms energy: -837.031948 where: bonds (distance) C4'-P energy: -147.698 bonds (distance) P-C4' energy: -171.342 flat angles C4'-P-C4' energy: -186.951 flat angles P-C4'-P energy: -107.624 tors. eta vs tors. theta energy: -223.416 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: 7 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -2563.866261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.866261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.866261 (E_RNA) where: Base-Base interactions energy: -1786.969 where: short stacking energy: -766.969 Base-Backbone interact. energy: 2.563 local terms energy: -779.459945 where: bonds (distance) C4'-P energy: -144.564 bonds (distance) P-C4' energy: -147.310 flat angles C4'-P-C4' energy: -172.639 flat angles P-C4'-P energy: -108.466 tors. eta vs tors. theta energy: -206.480 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: 420 Temperature: 1.200000 Total energy: -2401.584370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2401.584370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2401.584370 (E_RNA) where: Base-Base interactions energy: -1630.860 where: short stacking energy: -700.801 Base-Backbone interact. energy: -0.497 local terms energy: -770.226775 where: bonds (distance) C4'-P energy: -152.709 bonds (distance) P-C4' energy: -155.501 flat angles C4'-P-C4' energy: -181.736 flat angles P-C4'-P energy: -117.341 tors. eta vs tors. theta energy: -162.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1950.055663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1950.055663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1950.055663 (E_RNA) where: Base-Base interactions energy: -1291.949 where: short stacking energy: -572.051 Base-Backbone interact. energy: -0.195 local terms energy: -657.911661 where: bonds (distance) C4'-P energy: -124.110 bonds (distance) P-C4' energy: -157.160 flat angles C4'-P-C4' energy: -168.652 flat angles P-C4'-P energy: -80.306 tors. eta vs tors. theta energy: -127.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -1591.866453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.866453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.866453 (E_RNA) where: Base-Base interactions energy: -988.717 where: short stacking energy: -467.969 Base-Backbone interact. energy: 5.972 local terms energy: -609.121239 where: bonds (distance) C4'-P energy: -145.176 bonds (distance) P-C4' energy: -138.246 flat angles C4'-P-C4' energy: -140.059 flat angles P-C4'-P energy: -103.147 tors. eta vs tors. theta energy: -82.493 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: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -1027.521289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.521289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.521289 (E_RNA) where: Base-Base interactions energy: -554.986 where: short stacking energy: -271.753 Base-Backbone interact. energy: -0.251 local terms energy: -472.283844 where: bonds (distance) C4'-P energy: -113.043 bonds (distance) P-C4' energy: -166.348 flat angles C4'-P-C4' energy: -127.804 flat angles P-C4'-P energy: -64.281 tors. eta vs tors. theta energy: -0.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -3304.095973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3304.095973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3304.095973 (E_RNA) where: Base-Base interactions energy: -2335.543 where: short stacking energy: -986.095 Base-Backbone interact. energy: -2.757 local terms energy: -965.796727 where: bonds (distance) C4'-P energy: -186.261 bonds (distance) P-C4' energy: -176.535 flat angles C4'-P-C4' energy: -199.685 flat angles P-C4'-P energy: -128.265 tors. eta vs tors. theta energy: -275.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -3264.826724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3264.826724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3264.826724 (E_RNA) where: Base-Base interactions energy: -2293.781 where: short stacking energy: -963.028 Base-Backbone interact. energy: -1.355 local terms energy: -969.690281 where: bonds (distance) C4'-P energy: -171.313 bonds (distance) P-C4' energy: -175.342 flat angles C4'-P-C4' energy: -205.653 flat angles P-C4'-P energy: -140.645 tors. eta vs tors. theta energy: -276.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -3056.426070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.426070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.426070 (E_RNA) where: Base-Base interactions energy: -2137.403 where: short stacking energy: -914.996 Base-Backbone interact. energy: -4.192 local terms energy: -914.831356 where: bonds (distance) C4'-P energy: -157.173 bonds (distance) P-C4' energy: -174.816 flat angles C4'-P-C4' energy: -188.358 flat angles P-C4'-P energy: -143.924 tors. eta vs tors. theta energy: -250.561 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: 8 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -2867.725903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2867.725903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2867.725903 (E_RNA) where: Base-Base interactions energy: -1988.574 where: short stacking energy: -844.822 Base-Backbone interact. energy: -5.802 local terms energy: -873.349933 where: bonds (distance) C4'-P energy: -161.081 bonds (distance) P-C4' energy: -175.584 flat angles C4'-P-C4' energy: -185.429 flat angles P-C4'-P energy: -102.799 tors. eta vs tors. theta energy: -248.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -2729.743652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2729.743652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2729.743652 (E_RNA) where: Base-Base interactions energy: -1876.535 where: short stacking energy: -796.571 Base-Backbone interact. energy: -1.221 local terms energy: -851.987545 where: bonds (distance) C4'-P energy: -173.643 bonds (distance) P-C4' energy: -170.190 flat angles C4'-P-C4' energy: -167.226 flat angles P-C4'-P energy: -116.025 tors. eta vs tors. theta energy: -224.904 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: 7 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -2531.678404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2531.678404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2531.678404 (E_RNA) where: Base-Base interactions energy: -1745.744 where: short stacking energy: -722.486 Base-Backbone interact. energy: 0.325 local terms energy: -786.259037 where: bonds (distance) C4'-P energy: -141.262 bonds (distance) P-C4' energy: -162.279 flat angles C4'-P-C4' energy: -179.608 flat angles P-C4'-P energy: -107.809 tors. eta vs tors. theta energy: -195.301 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: 421 Temperature: 1.200000 Total energy: -2409.877448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2409.877448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2409.877448 (E_RNA) where: Base-Base interactions energy: -1659.323 where: short stacking energy: -731.493 Base-Backbone interact. energy: -6.121 local terms energy: -744.433166 where: bonds (distance) C4'-P energy: -151.368 bonds (distance) P-C4' energy: -145.666 flat angles C4'-P-C4' energy: -149.246 flat angles P-C4'-P energy: -110.670 tors. eta vs tors. theta energy: -187.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1956.961050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.961050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.961050 (E_RNA) where: Base-Base interactions energy: -1316.852 where: short stacking energy: -599.787 Base-Backbone interact. energy: 8.049 local terms energy: -648.158488 where: bonds (distance) C4'-P energy: -156.934 bonds (distance) P-C4' energy: -136.037 flat angles C4'-P-C4' energy: -139.605 flat angles P-C4'-P energy: -102.734 tors. eta vs tors. theta energy: -112.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -1644.399810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.399810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.399810 (E_RNA) where: Base-Base interactions energy: -1046.017 where: short stacking energy: -485.744 Base-Backbone interact. energy: 5.820 local terms energy: -604.202786 where: bonds (distance) C4'-P energy: -134.283 bonds (distance) P-C4' energy: -162.173 flat angles C4'-P-C4' energy: -133.499 flat angles P-C4'-P energy: -79.458 tors. eta vs tors. theta energy: -94.790 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: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -1020.948392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.948392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.948392 (E_RNA) where: Base-Base interactions energy: -515.103 where: short stacking energy: -297.426 Base-Backbone interact. energy: 4.612 local terms energy: -510.457041 where: bonds (distance) C4'-P energy: -143.994 bonds (distance) P-C4' energy: -155.204 flat angles C4'-P-C4' energy: -128.298 flat angles P-C4'-P energy: -66.736 tors. eta vs tors. theta energy: -16.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -3291.982244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3291.982244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3291.982244 (E_RNA) where: Base-Base interactions energy: -2313.078 where: short stacking energy: -966.198 Base-Backbone interact. energy: -3.580 local terms energy: -975.323630 where: bonds (distance) C4'-P energy: -175.442 bonds (distance) P-C4' energy: -183.878 flat angles C4'-P-C4' energy: -217.504 flat angles P-C4'-P energy: -134.211 tors. eta vs tors. theta energy: -264.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -3281.344884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3281.344884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3281.344884 (E_RNA) where: Base-Base interactions energy: -2324.713 where: short stacking energy: -972.460 Base-Backbone interact. energy: -2.141 local terms energy: -954.490503 where: bonds (distance) C4'-P energy: -150.535 bonds (distance) P-C4' energy: -164.581 flat angles C4'-P-C4' energy: -212.947 flat angles P-C4'-P energy: -147.897 tors. eta vs tors. theta energy: -278.530 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: 1 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -3053.348105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.348105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.348105 (E_RNA) where: Base-Base interactions energy: -2138.214 where: short stacking energy: -937.246 Base-Backbone interact. energy: -4.095 local terms energy: -911.039687 where: bonds (distance) C4'-P energy: -150.476 bonds (distance) P-C4' energy: -178.757 flat angles C4'-P-C4' energy: -186.875 flat angles P-C4'-P energy: -126.894 tors. eta vs tors. theta energy: -268.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -2878.017511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2878.017511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2878.017511 (E_RNA) where: Base-Base interactions energy: -1983.242 where: short stacking energy: -842.033 Base-Backbone interact. energy: 2.348 local terms energy: -897.123422 where: bonds (distance) C4'-P energy: -157.837 bonds (distance) P-C4' energy: -165.779 flat angles C4'-P-C4' energy: -206.679 flat angles P-C4'-P energy: -117.169 tors. eta vs tors. theta energy: -249.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -2745.316923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2745.316923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2745.316923 (E_RNA) where: Base-Base interactions energy: -1891.877 where: short stacking energy: -820.802 Base-Backbone interact. energy: -2.438 local terms energy: -851.001616 where: bonds (distance) C4'-P energy: -151.328 bonds (distance) P-C4' energy: -175.228 flat angles C4'-P-C4' energy: -177.887 flat angles P-C4'-P energy: -115.605 tors. eta vs tors. theta energy: -230.954 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: 7 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -2521.422841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2521.422841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2521.422841 (E_RNA) where: Base-Base interactions energy: -1712.407 where: short stacking energy: -756.649 Base-Backbone interact. energy: -2.856 local terms energy: -806.159589 where: bonds (distance) C4'-P energy: -156.355 bonds (distance) P-C4' energy: -176.531 flat angles C4'-P-C4' energy: -175.846 flat angles P-C4'-P energy: -95.766 tors. eta vs tors. theta energy: -201.661 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: 3 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -2457.590693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2457.590693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2457.590693 (E_RNA) where: Base-Base interactions energy: -1706.308 where: short stacking energy: -708.553 Base-Backbone interact. energy: 0.143 local terms energy: -751.425832 where: bonds (distance) C4'-P energy: -141.377 bonds (distance) P-C4' energy: -152.561 flat angles C4'-P-C4' energy: -169.043 flat angles P-C4'-P energy: -104.474 tors. eta vs tors. theta energy: -183.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1972.438344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1972.438344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1972.438344 (E_RNA) where: Base-Base interactions energy: -1284.237 where: short stacking energy: -572.359 Base-Backbone interact. energy: -4.708 local terms energy: -683.493567 where: bonds (distance) C4'-P energy: -146.945 bonds (distance) P-C4' energy: -159.938 flat angles C4'-P-C4' energy: -150.272 flat angles P-C4'-P energy: -103.822 tors. eta vs tors. theta energy: -122.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -1637.998624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.998624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.998624 (E_RNA) where: Base-Base interactions energy: -1045.275 where: short stacking energy: -485.258 Base-Backbone interact. energy: -0.685 local terms energy: -592.038246 where: bonds (distance) C4'-P energy: -109.787 bonds (distance) P-C4' energy: -166.814 flat angles C4'-P-C4' energy: -136.776 flat angles P-C4'-P energy: -90.743 tors. eta vs tors. theta energy: -87.918 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: 10, replica: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -1076.316646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.316646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.316646 (E_RNA) where: Base-Base interactions energy: -628.031 where: short stacking energy: -336.990 Base-Backbone interact. energy: -4.115 local terms energy: -444.170826 where: bonds (distance) C4'-P energy: -115.442 bonds (distance) P-C4' energy: -120.140 flat angles C4'-P-C4' energy: -132.416 flat angles P-C4'-P energy: -77.248 tors. eta vs tors. theta energy: 1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -3289.196614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3289.196614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3289.196614 (E_RNA) where: Base-Base interactions energy: -2304.413 where: short stacking energy: -983.774 Base-Backbone interact. energy: -2.983 local terms energy: -981.800134 where: bonds (distance) C4'-P energy: -177.600 bonds (distance) P-C4' energy: -180.461 flat angles C4'-P-C4' energy: -195.192 flat angles P-C4'-P energy: -146.739 tors. eta vs tors. theta energy: -281.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -3231.129998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3231.129998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3231.129998 (E_RNA) where: Base-Base interactions energy: -2265.431 where: short stacking energy: -919.571 Base-Backbone interact. energy: -2.557 local terms energy: -963.141554 where: bonds (distance) C4'-P energy: -168.988 bonds (distance) P-C4' energy: -184.814 flat angles C4'-P-C4' energy: -206.078 flat angles P-C4'-P energy: -136.756 tors. eta vs tors. theta energy: -266.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -3064.066088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3064.066088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3064.066088 (E_RNA) where: Base-Base interactions energy: -2107.031 where: short stacking energy: -910.688 Base-Backbone interact. energy: -2.049 local terms energy: -954.985944 where: bonds (distance) C4'-P energy: -184.430 bonds (distance) P-C4' energy: -174.470 flat angles C4'-P-C4' energy: -194.147 flat angles P-C4'-P energy: -135.899 tors. eta vs tors. theta energy: -266.040 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: 8 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -2900.519300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.519300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.519300 (E_RNA) where: Base-Base interactions energy: -2019.968 where: short stacking energy: -859.411 Base-Backbone interact. energy: 0.512 local terms energy: -881.063721 where: bonds (distance) C4'-P energy: -162.352 bonds (distance) P-C4' energy: -170.650 flat angles C4'-P-C4' energy: -197.763 flat angles P-C4'-P energy: -113.450 tors. eta vs tors. theta energy: -236.848 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: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -2777.278281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2777.278281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2777.278281 (E_RNA) where: Base-Base interactions energy: -1929.778 where: short stacking energy: -830.123 Base-Backbone interact. energy: -3.182 local terms energy: -844.318353 where: bonds (distance) C4'-P energy: -149.297 bonds (distance) P-C4' energy: -167.423 flat angles C4'-P-C4' energy: -177.857 flat angles P-C4'-P energy: -109.542 tors. eta vs tors. theta energy: -240.199 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: 7 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -2539.582631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2539.582631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2539.582631 (E_RNA) where: Base-Base interactions energy: -1737.207 where: short stacking energy: -745.153 Base-Backbone interact. energy: -1.084 local terms energy: -801.291686 where: bonds (distance) C4'-P energy: -160.367 bonds (distance) P-C4' energy: -167.890 flat angles C4'-P-C4' energy: -176.288 flat angles P-C4'-P energy: -96.911 tors. eta vs tors. theta energy: -199.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -2452.230837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2452.230837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2452.230837 (E_RNA) where: Base-Base interactions energy: -1671.195 where: short stacking energy: -707.264 Base-Backbone interact. energy: 1.803 local terms energy: -782.838750 where: bonds (distance) C4'-P energy: -148.893 bonds (distance) P-C4' energy: -157.099 flat angles C4'-P-C4' energy: -162.368 flat angles P-C4'-P energy: -121.302 tors. eta vs tors. theta energy: -193.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -1977.392238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.392238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.392238 (E_RNA) where: Base-Base interactions energy: -1300.989 where: short stacking energy: -576.268 Base-Backbone interact. energy: 2.324 local terms energy: -678.727428 where: bonds (distance) C4'-P energy: -133.033 bonds (distance) P-C4' energy: -156.776 flat angles C4'-P-C4' energy: -182.429 flat angles P-C4'-P energy: -93.508 tors. eta vs tors. theta energy: -112.982 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: 5 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -1662.399165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.399165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.399165 (E_RNA) where: Base-Base interactions energy: -1029.820 where: short stacking energy: -476.330 Base-Backbone interact. energy: 4.536 local terms energy: -637.114993 where: bonds (distance) C4'-P energy: -154.863 bonds (distance) P-C4' energy: -166.716 flat angles C4'-P-C4' energy: -148.405 flat angles P-C4'-P energy: -80.032 tors. eta vs tors. theta energy: -87.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -1069.420058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.420058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.420058 (E_RNA) where: Base-Base interactions energy: -571.349 where: short stacking energy: -288.010 Base-Backbone interact. energy: 4.382 local terms energy: -502.453224 where: bonds (distance) C4'-P energy: -139.877 bonds (distance) P-C4' energy: -145.073 flat angles C4'-P-C4' energy: -129.254 flat angles P-C4'-P energy: -88.521 tors. eta vs tors. theta energy: 0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -3315.056825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3315.056825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3315.056825 (E_RNA) where: Base-Base interactions energy: -2314.815 where: short stacking energy: -959.229 Base-Backbone interact. energy: -6.056 local terms energy: -994.186393 where: bonds (distance) C4'-P energy: -172.924 bonds (distance) P-C4' energy: -196.246 flat angles C4'-P-C4' energy: -202.721 flat angles P-C4'-P energy: -145.480 tors. eta vs tors. theta energy: -276.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -3229.703819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3229.703819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3229.703819 (E_RNA) where: Base-Base interactions energy: -2243.357 where: short stacking energy: -962.161 Base-Backbone interact. energy: -4.431 local terms energy: -981.915189 where: bonds (distance) C4'-P energy: -174.158 bonds (distance) P-C4' energy: -181.171 flat angles C4'-P-C4' energy: -208.414 flat angles P-C4'-P energy: -139.849 tors. eta vs tors. theta energy: -278.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -3062.614446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.614446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.614446 (E_RNA) where: Base-Base interactions energy: -2098.763 where: short stacking energy: -884.639 Base-Backbone interact. energy: -4.000 local terms energy: -959.851181 where: bonds (distance) C4'-P energy: -174.762 bonds (distance) P-C4' energy: -179.458 flat angles C4'-P-C4' energy: -196.637 flat angles P-C4'-P energy: -138.679 tors. eta vs tors. theta energy: -270.316 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: 8 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -2909.960264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.960264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.960264 (E_RNA) where: Base-Base interactions energy: -2020.666 where: short stacking energy: -860.366 Base-Backbone interact. energy: 3.585 local terms energy: -892.878993 where: bonds (distance) C4'-P energy: -167.532 bonds (distance) P-C4' energy: -173.570 flat angles C4'-P-C4' energy: -190.370 flat angles P-C4'-P energy: -119.736 tors. eta vs tors. theta energy: -241.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -2793.600599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.600599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.600599 (E_RNA) where: Base-Base interactions energy: -1935.219 where: short stacking energy: -807.676 Base-Backbone interact. energy: 5.301 local terms energy: -863.682654 where: bonds (distance) C4'-P energy: -153.980 bonds (distance) P-C4' energy: -172.299 flat angles C4'-P-C4' energy: -189.764 flat angles P-C4'-P energy: -121.904 tors. eta vs tors. theta energy: -225.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -2588.244777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2588.244777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2588.244777 (E_RNA) where: Base-Base interactions energy: -1794.638 where: short stacking energy: -759.511 Base-Backbone interact. energy: -4.345 local terms energy: -789.262548 where: bonds (distance) C4'-P energy: -141.204 bonds (distance) P-C4' energy: -155.341 flat angles C4'-P-C4' energy: -179.128 flat angles P-C4'-P energy: -104.716 tors. eta vs tors. theta energy: -208.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -2467.103557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.103557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.103557 (E_RNA) where: Base-Base interactions energy: -1667.548 where: short stacking energy: -728.105 Base-Backbone interact. energy: 1.085 local terms energy: -800.640669 where: bonds (distance) C4'-P energy: -149.438 bonds (distance) P-C4' energy: -167.888 flat angles C4'-P-C4' energy: -178.376 flat angles P-C4'-P energy: -100.620 tors. eta vs tors. theta energy: -204.319 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: 8, replica: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -1954.634957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.634957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.634957 (E_RNA) where: Base-Base interactions energy: -1306.864 where: short stacking energy: -583.995 Base-Backbone interact. energy: 1.370 local terms energy: -649.140755 where: bonds (distance) C4'-P energy: -153.967 bonds (distance) P-C4' energy: -155.063 flat angles C4'-P-C4' energy: -141.853 flat angles P-C4'-P energy: -78.557 tors. eta vs tors. theta energy: -119.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -1662.732174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.732174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.732174 (E_RNA) where: Base-Base interactions energy: -1036.718 where: short stacking energy: -470.263 Base-Backbone interact. energy: -0.824 local terms energy: -625.190761 where: bonds (distance) C4'-P energy: -145.509 bonds (distance) P-C4' energy: -159.752 flat angles C4'-P-C4' energy: -134.676 flat angles P-C4'-P energy: -121.306 tors. eta vs tors. theta energy: -63.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -1140.250582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.250582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.250582 (E_RNA) where: Base-Base interactions energy: -628.145 where: short stacking energy: -332.064 Base-Backbone interact. energy: 2.380 local terms energy: -514.485662 where: bonds (distance) C4'-P energy: -118.047 bonds (distance) P-C4' energy: -158.243 flat angles C4'-P-C4' energy: -132.511 flat angles P-C4'-P energy: -75.839 tors. eta vs tors. theta energy: -29.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -3302.519550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3302.519550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3302.519550 (E_RNA) where: Base-Base interactions energy: -2335.001 where: short stacking energy: -963.922 Base-Backbone interact. energy: -2.411 local terms energy: -965.107651 where: bonds (distance) C4'-P energy: -164.386 bonds (distance) P-C4' energy: -168.814 flat angles C4'-P-C4' energy: -210.461 flat angles P-C4'-P energy: -150.291 tors. eta vs tors. theta energy: -271.156 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: 2 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -3214.810602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.810602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.810602 (E_RNA) where: Base-Base interactions energy: -2269.175 where: short stacking energy: -915.044 Base-Backbone interact. energy: -4.413 local terms energy: -941.222388 where: bonds (distance) C4'-P energy: -153.855 bonds (distance) P-C4' energy: -175.879 flat angles C4'-P-C4' energy: -207.084 flat angles P-C4'-P energy: -129.898 tors. eta vs tors. theta energy: -274.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -3060.155259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.155259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.155259 (E_RNA) where: Base-Base interactions energy: -2106.086 where: short stacking energy: -907.459 Base-Backbone interact. energy: -3.885 local terms energy: -950.184507 where: bonds (distance) C4'-P energy: -174.648 bonds (distance) P-C4' energy: -184.292 flat angles C4'-P-C4' energy: -188.780 flat angles P-C4'-P energy: -135.769 tors. eta vs tors. theta energy: -266.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -2892.665280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2892.665280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2892.665280 (E_RNA) where: Base-Base interactions energy: -2002.833 where: short stacking energy: -824.633 Base-Backbone interact. energy: -5.530 local terms energy: -884.302137 where: bonds (distance) C4'-P energy: -153.463 bonds (distance) P-C4' energy: -178.131 flat angles C4'-P-C4' energy: -189.318 flat angles P-C4'-P energy: -128.973 tors. eta vs tors. theta energy: -234.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -2734.746166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2734.746166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2734.746166 (E_RNA) where: Base-Base interactions energy: -1884.804 where: short stacking energy: -773.424 Base-Backbone interact. energy: -3.805 local terms energy: -846.137529 where: bonds (distance) C4'-P energy: -146.744 bonds (distance) P-C4' energy: -165.240 flat angles C4'-P-C4' energy: -188.231 flat angles P-C4'-P energy: -135.268 tors. eta vs tors. theta energy: -210.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -2678.856169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.856169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.856169 (E_RNA) where: Base-Base interactions energy: -1875.388 where: short stacking energy: -771.842 Base-Backbone interact. energy: -6.830 local terms energy: -796.637395 where: bonds (distance) C4'-P energy: -152.379 bonds (distance) P-C4' energy: -141.796 flat angles C4'-P-C4' energy: -174.102 flat angles P-C4'-P energy: -111.835 tors. eta vs tors. theta energy: -216.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -2480.954596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2480.954596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2480.954596 (E_RNA) where: Base-Base interactions energy: -1676.090 where: short stacking energy: -744.288 Base-Backbone interact. energy: -2.541 local terms energy: -802.323713 where: bonds (distance) C4'-P energy: -159.125 bonds (distance) P-C4' energy: -185.078 flat angles C4'-P-C4' energy: -171.426 flat angles P-C4'-P energy: -98.255 tors. eta vs tors. theta energy: -188.440 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: 9 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -1977.239420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1977.239420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1977.239420 (E_RNA) where: Base-Base interactions energy: -1351.609 where: short stacking energy: -577.515 Base-Backbone interact. energy: 3.725 local terms energy: -629.355032 where: bonds (distance) C4'-P energy: -132.505 bonds (distance) P-C4' energy: -145.035 flat angles C4'-P-C4' energy: -152.923 flat angles P-C4'-P energy: -82.745 tors. eta vs tors. theta energy: -116.148 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: 5 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -1677.422640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.422640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.422640 (E_RNA) where: Base-Base interactions energy: -1070.442 where: short stacking energy: -471.359 Base-Backbone interact. energy: -1.332 local terms energy: -605.648903 where: bonds (distance) C4'-P energy: -132.015 bonds (distance) P-C4' energy: -154.465 flat angles C4'-P-C4' energy: -135.233 flat angles P-C4'-P energy: -90.537 tors. eta vs tors. theta energy: -93.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -1071.193963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.193963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.193963 (E_RNA) where: Base-Base interactions energy: -607.048 where: short stacking energy: -289.189 Base-Backbone interact. energy: 4.667 local terms energy: -468.813225 where: bonds (distance) C4'-P energy: -130.583 bonds (distance) P-C4' energy: -153.985 flat angles C4'-P-C4' energy: -141.689 flat angles P-C4'-P energy: -51.017 tors. eta vs tors. theta energy: 8.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -3296.566040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3296.566040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3296.566040 (E_RNA) where: Base-Base interactions energy: -2328.200 where: short stacking energy: -978.635 Base-Backbone interact. energy: -7.006 local terms energy: -961.360938 where: bonds (distance) C4'-P energy: -162.506 bonds (distance) P-C4' energy: -185.375 flat angles C4'-P-C4' energy: -206.829 flat angles P-C4'-P energy: -137.232 tors. eta vs tors. theta energy: -269.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -3220.487204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.487204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.487204 (E_RNA) where: Base-Base interactions energy: -2270.512 where: short stacking energy: -941.631 Base-Backbone interact. energy: -0.069 local terms energy: -949.906301 where: bonds (distance) C4'-P energy: -162.882 bonds (distance) P-C4' energy: -163.085 flat angles C4'-P-C4' energy: -212.822 flat angles P-C4'-P energy: -149.278 tors. eta vs tors. theta energy: -261.839 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: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -3068.153815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3068.153815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3068.153815 (E_RNA) where: Base-Base interactions energy: -2124.943 where: short stacking energy: -919.607 Base-Backbone interact. energy: -4.494 local terms energy: -938.716785 where: bonds (distance) C4'-P energy: -163.588 bonds (distance) P-C4' energy: -170.052 flat angles C4'-P-C4' energy: -205.138 flat angles P-C4'-P energy: -132.588 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: 4, replica: 8 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -2880.319682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.319682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.319682 (E_RNA) where: Base-Base interactions energy: -1997.547 where: short stacking energy: -842.227 Base-Backbone interact. energy: -5.277 local terms energy: -877.496170 where: bonds (distance) C4'-P energy: -156.966 bonds (distance) P-C4' energy: -163.839 flat angles C4'-P-C4' energy: -188.123 flat angles P-C4'-P energy: -125.524 tors. eta vs tors. theta energy: -243.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -2771.193318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2771.193318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2771.193318 (E_RNA) where: Base-Base interactions energy: -1900.035 where: short stacking energy: -817.463 Base-Backbone interact. energy: 0.136 local terms energy: -871.293436 where: bonds (distance) C4'-P energy: -168.243 bonds (distance) P-C4' energy: -162.103 flat angles C4'-P-C4' energy: -193.059 flat angles P-C4'-P energy: -121.908 tors. eta vs tors. theta energy: -225.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -2680.021908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2680.021908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2680.021908 (E_RNA) where: Base-Base interactions energy: -1868.360 where: short stacking energy: -763.260 Base-Backbone interact. energy: -0.825 local terms energy: -810.837120 where: bonds (distance) C4'-P energy: -169.254 bonds (distance) P-C4' energy: -152.617 flat angles C4'-P-C4' energy: -172.662 flat angles P-C4'-P energy: -104.750 tors. eta vs tors. theta energy: -211.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -2503.280666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2503.280666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2503.280666 (E_RNA) where: Base-Base interactions energy: -1700.079 where: short stacking energy: -730.966 Base-Backbone interact. energy: -0.865 local terms energy: -802.336590 where: bonds (distance) C4'-P energy: -153.925 bonds (distance) P-C4' energy: -156.343 flat angles C4'-P-C4' energy: -182.723 flat angles P-C4'-P energy: -112.850 tors. eta vs tors. theta energy: -196.494 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: 9 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -2030.763730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2030.763730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2030.763730 (E_RNA) where: Base-Base interactions energy: -1334.652 where: short stacking energy: -574.352 Base-Backbone interact. energy: -3.817 local terms energy: -692.294697 where: bonds (distance) C4'-P energy: -157.277 bonds (distance) P-C4' energy: -143.610 flat angles C4'-P-C4' energy: -151.721 flat angles P-C4'-P energy: -98.457 tors. eta vs tors. theta energy: -141.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -1704.091637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.091637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.091637 (E_RNA) where: Base-Base interactions energy: -1097.253 where: short stacking energy: -503.380 Base-Backbone interact. energy: 1.077 local terms energy: -607.915703 where: bonds (distance) C4'-P energy: -144.576 bonds (distance) P-C4' energy: -147.153 flat angles C4'-P-C4' energy: -148.046 flat angles P-C4'-P energy: -86.113 tors. eta vs tors. theta energy: -82.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -1113.113053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.113053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.113053 (E_RNA) where: Base-Base interactions energy: -622.519 where: short stacking energy: -309.088 Base-Backbone interact. energy: 3.072 local terms energy: -493.665791 where: bonds (distance) C4'-P energy: -148.640 bonds (distance) P-C4' energy: -122.895 flat angles C4'-P-C4' energy: -138.306 flat angles P-C4'-P energy: -79.773 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -3305.737893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3305.737893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3305.737893 (E_RNA) where: Base-Base interactions energy: -2320.214 where: short stacking energy: -970.410 Base-Backbone interact. energy: -4.368 local terms energy: -981.156480 where: bonds (distance) C4'-P energy: -177.223 bonds (distance) P-C4' energy: -172.843 flat angles C4'-P-C4' energy: -213.689 flat angles P-C4'-P energy: -143.063 tors. eta vs tors. theta energy: -274.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -3256.465029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.465029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.465029 (E_RNA) where: Base-Base interactions energy: -2293.461 where: short stacking energy: -951.475 Base-Backbone interact. energy: -5.744 local terms energy: -957.259905 where: bonds (distance) C4'-P energy: -167.746 bonds (distance) P-C4' energy: -168.966 flat angles C4'-P-C4' energy: -201.353 flat angles P-C4'-P energy: -140.026 tors. eta vs tors. theta energy: -279.169 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: 427 Temperature: 1.000000 Total energy: -3060.653266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3060.653266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3060.653266 (E_RNA) where: Base-Base interactions energy: -2135.853 where: short stacking energy: -921.636 Base-Backbone interact. energy: 0.422 local terms energy: -925.222117 where: bonds (distance) C4'-P energy: -166.856 bonds (distance) P-C4' energy: -178.131 flat angles C4'-P-C4' energy: -191.457 flat angles P-C4'-P energy: -125.032 tors. eta vs tors. theta energy: -263.746 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: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -2937.846910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.846910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.846910 (E_RNA) where: Base-Base interactions energy: -2016.151 where: short stacking energy: -863.703 Base-Backbone interact. energy: -3.106 local terms energy: -918.590496 where: bonds (distance) C4'-P energy: -171.582 bonds (distance) P-C4' energy: -179.453 flat angles C4'-P-C4' energy: -192.269 flat angles P-C4'-P energy: -123.212 tors. eta vs tors. theta energy: -252.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -2756.721953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2756.721953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2756.721953 (E_RNA) where: Base-Base interactions energy: -1888.875 where: short stacking energy: -813.720 Base-Backbone interact. energy: -5.076 local terms energy: -862.770865 where: bonds (distance) C4'-P energy: -161.487 bonds (distance) P-C4' energy: -159.042 flat angles C4'-P-C4' energy: -177.503 flat angles P-C4'-P energy: -131.677 tors. eta vs tors. theta energy: -233.062 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: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -2639.739870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2639.739870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2639.739870 (E_RNA) where: Base-Base interactions energy: -1812.653 where: short stacking energy: -754.741 Base-Backbone interact. energy: -3.538 local terms energy: -823.548706 where: bonds (distance) C4'-P energy: -159.806 bonds (distance) P-C4' energy: -176.403 flat angles C4'-P-C4' energy: -165.937 flat angles P-C4'-P energy: -107.456 tors. eta vs tors. theta energy: -213.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -2487.572734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2487.572734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2487.572734 (E_RNA) where: Base-Base interactions energy: -1696.054 where: short stacking energy: -773.290 Base-Backbone interact. energy: 3.959 local terms energy: -795.477177 where: bonds (distance) C4'-P energy: -145.167 bonds (distance) P-C4' energy: -164.742 flat angles C4'-P-C4' energy: -170.093 flat angles P-C4'-P energy: -105.069 tors. eta vs tors. theta energy: -210.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -2005.845121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2005.845121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2005.845121 (E_RNA) where: Base-Base interactions energy: -1315.928 where: short stacking energy: -565.421 Base-Backbone interact. energy: -1.726 local terms energy: -688.191493 where: bonds (distance) C4'-P energy: -136.025 bonds (distance) P-C4' energy: -171.131 flat angles C4'-P-C4' energy: -148.507 flat angles P-C4'-P energy: -95.248 tors. eta vs tors. theta energy: -137.280 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: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -1682.900070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.900070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.900070 (E_RNA) where: Base-Base interactions energy: -1063.216 where: short stacking energy: -461.902 Base-Backbone interact. energy: 3.308 local terms energy: -622.992084 where: bonds (distance) C4'-P energy: -139.570 bonds (distance) P-C4' energy: -155.341 flat angles C4'-P-C4' energy: -164.409 flat angles P-C4'-P energy: -87.324 tors. eta vs tors. theta energy: -76.349 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: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -1209.775023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.775023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.775023 (E_RNA) where: Base-Base interactions energy: -697.176 where: short stacking energy: -336.192 Base-Backbone interact. energy: -0.577 local terms energy: -512.022237 where: bonds (distance) C4'-P energy: -127.245 bonds (distance) P-C4' energy: -152.587 flat angles C4'-P-C4' energy: -131.857 flat angles P-C4'-P energy: -60.554 tors. eta vs tors. theta energy: -39.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -3346.053087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3346.053087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3346.053087 (E_RNA) where: Base-Base interactions energy: -2348.069 where: short stacking energy: -1001.551 Base-Backbone interact. energy: -4.757 local terms energy: -993.227204 where: bonds (distance) C4'-P energy: -186.395 bonds (distance) P-C4' energy: -173.066 flat angles C4'-P-C4' energy: -208.591 flat angles P-C4'-P energy: -149.591 tors. eta vs tors. theta energy: -275.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -3228.264785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.264785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.264785 (E_RNA) where: Base-Base interactions energy: -2272.101 where: short stacking energy: -950.374 Base-Backbone interact. energy: -2.555 local terms energy: -953.608637 where: bonds (distance) C4'-P energy: -157.179 bonds (distance) P-C4' energy: -174.526 flat angles C4'-P-C4' energy: -210.382 flat angles P-C4'-P energy: -128.447 tors. eta vs tors. theta energy: -283.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -3084.436962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3084.436962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3084.436962 (E_RNA) where: Base-Base interactions energy: -2149.201 where: short stacking energy: -938.778 Base-Backbone interact. energy: -2.719 local terms energy: -932.516547 where: bonds (distance) C4'-P energy: -165.133 bonds (distance) P-C4' energy: -149.023 flat angles C4'-P-C4' energy: -207.873 flat angles P-C4'-P energy: -127.090 tors. eta vs tors. theta energy: -283.398 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: 8 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -2954.384243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2954.384243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2954.384243 (E_RNA) where: Base-Base interactions energy: -2052.391 where: short stacking energy: -838.922 Base-Backbone interact. energy: -4.865 local terms energy: -897.128069 where: bonds (distance) C4'-P energy: -157.238 bonds (distance) P-C4' energy: -183.687 flat angles C4'-P-C4' energy: -173.711 flat angles P-C4'-P energy: -132.393 tors. eta vs tors. theta energy: -250.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -2743.815167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.815167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.815167 (E_RNA) where: Base-Base interactions energy: -1916.541 where: short stacking energy: -814.297 Base-Backbone interact. energy: 1.649 local terms energy: -828.922404 where: bonds (distance) C4'-P energy: -150.078 bonds (distance) P-C4' energy: -158.751 flat angles C4'-P-C4' energy: -190.730 flat angles P-C4'-P energy: -116.313 tors. eta vs tors. theta energy: -213.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -2716.520887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2716.520887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2716.520887 (E_RNA) where: Base-Base interactions energy: -1902.641 where: short stacking energy: -816.526 Base-Backbone interact. energy: -3.651 local terms energy: -810.229271 where: bonds (distance) C4'-P energy: -149.828 bonds (distance) P-C4' energy: -155.193 flat angles C4'-P-C4' energy: -170.075 flat angles P-C4'-P energy: -106.006 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: 7, replica: 3 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -2471.787912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.787912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.787912 (E_RNA) where: Base-Base interactions energy: -1702.637 where: short stacking energy: -733.115 Base-Backbone interact. energy: 0.670 local terms energy: -769.821222 where: bonds (distance) C4'-P energy: -130.499 bonds (distance) P-C4' energy: -168.047 flat angles C4'-P-C4' energy: -168.256 flat angles P-C4'-P energy: -104.940 tors. eta vs tors. theta energy: -198.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -2021.967977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2021.967977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2021.967977 (E_RNA) where: Base-Base interactions energy: -1396.682 where: short stacking energy: -590.188 Base-Backbone interact. energy: -0.497 local terms energy: -624.788419 where: bonds (distance) C4'-P energy: -145.323 bonds (distance) P-C4' energy: -132.989 flat angles C4'-P-C4' energy: -146.063 flat angles P-C4'-P energy: -73.261 tors. eta vs tors. theta energy: -127.153 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: 5 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1665.973083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.973083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.973083 (E_RNA) where: Base-Base interactions energy: -1077.885 where: short stacking energy: -498.998 Base-Backbone interact. energy: 2.923 local terms energy: -591.010863 where: bonds (distance) C4'-P energy: -120.364 bonds (distance) P-C4' energy: -138.684 flat angles C4'-P-C4' energy: -141.155 flat angles P-C4'-P energy: -89.220 tors. eta vs tors. theta energy: -101.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -1150.438332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.438332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.438332 (E_RNA) where: Base-Base interactions energy: -625.186 where: short stacking energy: -332.727 Base-Backbone interact. energy: -4.192 local terms energy: -521.061089 where: bonds (distance) C4'-P energy: -148.245 bonds (distance) P-C4' energy: -140.257 flat angles C4'-P-C4' energy: -121.019 flat angles P-C4'-P energy: -78.008 tors. eta vs tors. theta energy: -33.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -3325.113962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3325.113962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3325.113962 (E_RNA) where: Base-Base interactions energy: -2355.506 where: short stacking energy: -977.337 Base-Backbone interact. energy: -6.119 local terms energy: -963.489302 where: bonds (distance) C4'-P energy: -172.262 bonds (distance) P-C4' energy: -181.130 flat angles C4'-P-C4' energy: -205.620 flat angles P-C4'-P energy: -129.688 tors. eta vs tors. theta energy: -274.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -3235.318656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3235.318656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3235.318656 (E_RNA) where: Base-Base interactions energy: -2268.955 where: short stacking energy: -972.346 Base-Backbone interact. energy: -3.842 local terms energy: -962.521132 where: bonds (distance) C4'-P energy: -164.770 bonds (distance) P-C4' energy: -177.051 flat angles C4'-P-C4' energy: -204.226 flat angles P-C4'-P energy: -140.130 tors. eta vs tors. theta energy: -276.344 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: 1 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -3070.567326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.567326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.567326 (E_RNA) where: Base-Base interactions energy: -2142.326 where: short stacking energy: -913.438 Base-Backbone interact. energy: -5.801 local terms energy: -922.440114 where: bonds (distance) C4'-P energy: -160.597 bonds (distance) P-C4' energy: -169.917 flat angles C4'-P-C4' energy: -201.047 flat angles P-C4'-P energy: -128.734 tors. eta vs tors. theta energy: -262.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -2934.255875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2934.255875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2934.255875 (E_RNA) where: Base-Base interactions energy: -2043.046 where: short stacking energy: -861.720 Base-Backbone interact. energy: -4.836 local terms energy: -886.373339 where: bonds (distance) C4'-P energy: -153.418 bonds (distance) P-C4' energy: -175.836 flat angles C4'-P-C4' energy: -182.384 flat angles P-C4'-P energy: -126.566 tors. eta vs tors. theta energy: -248.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -2705.073521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2705.073521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2705.073521 (E_RNA) where: Base-Base interactions energy: -1902.121 where: short stacking energy: -757.970 Base-Backbone interact. energy: 1.680 local terms energy: -804.633048 where: bonds (distance) C4'-P energy: -132.022 bonds (distance) P-C4' energy: -169.142 flat angles C4'-P-C4' energy: -178.367 flat angles P-C4'-P energy: -119.578 tors. eta vs tors. theta energy: -205.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -2719.862104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2719.862104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2719.862104 (E_RNA) where: Base-Base interactions energy: -1877.471 where: short stacking energy: -785.987 Base-Backbone interact. energy: -1.895 local terms energy: -840.496327 where: bonds (distance) C4'-P energy: -140.225 bonds (distance) P-C4' energy: -180.216 flat angles C4'-P-C4' energy: -179.207 flat angles P-C4'-P energy: -119.149 tors. eta vs tors. theta energy: -221.701 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: 3 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -2469.151711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2469.151711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2469.151711 (E_RNA) where: Base-Base interactions energy: -1675.854 where: short stacking energy: -720.031 Base-Backbone interact. energy: -2.777 local terms energy: -790.521512 where: bonds (distance) C4'-P energy: -159.660 bonds (distance) P-C4' energy: -147.543 flat angles C4'-P-C4' energy: -164.286 flat angles P-C4'-P energy: -119.676 tors. eta vs tors. theta energy: -199.357 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: 8, replica: 9 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -2129.076176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2129.076176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2129.076176 (E_RNA) where: Base-Base interactions energy: -1436.453 where: short stacking energy: -626.401 Base-Backbone interact. energy: 0.726 local terms energy: -693.348940 where: bonds (distance) C4'-P energy: -108.953 bonds (distance) P-C4' energy: -153.355 flat angles C4'-P-C4' energy: -184.420 flat angles P-C4'-P energy: -106.820 tors. eta vs tors. theta energy: -139.801 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: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -1616.159873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.159873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.159873 (E_RNA) where: Base-Base interactions energy: -1061.078 where: short stacking energy: -495.930 Base-Backbone interact. energy: 1.119 local terms energy: -556.200336 where: bonds (distance) C4'-P energy: -114.248 bonds (distance) P-C4' energy: -127.335 flat angles C4'-P-C4' energy: -142.434 flat angles P-C4'-P energy: -94.769 tors. eta vs tors. theta energy: -77.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -1107.061466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.061466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.061466 (E_RNA) where: Base-Base interactions energy: -594.735 where: short stacking energy: -287.752 Base-Backbone interact. energy: -4.154 local terms energy: -508.173184 where: bonds (distance) C4'-P energy: -150.095 bonds (distance) P-C4' energy: -149.074 flat angles C4'-P-C4' energy: -141.390 flat angles P-C4'-P energy: -60.465 tors. eta vs tors. theta energy: -7.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -3326.095030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3326.095030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3326.095030 (E_RNA) where: Base-Base interactions energy: -2339.058 where: short stacking energy: -964.743 Base-Backbone interact. energy: -5.785 local terms energy: -981.252543 where: bonds (distance) C4'-P energy: -170.573 bonds (distance) P-C4' energy: -186.563 flat angles C4'-P-C4' energy: -198.296 flat angles P-C4'-P energy: -145.952 tors. eta vs tors. theta energy: -279.869 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: 2 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -3228.492751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3228.492751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3228.492751 (E_RNA) where: Base-Base interactions energy: -2258.109 where: short stacking energy: -964.038 Base-Backbone interact. energy: -4.662 local terms energy: -965.721933 where: bonds (distance) C4'-P energy: -181.217 bonds (distance) P-C4' energy: -177.620 flat angles C4'-P-C4' energy: -194.413 flat angles P-C4'-P energy: -136.223 tors. eta vs tors. theta energy: -276.249 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: 3, replica: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -3092.687539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.687539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.687539 (E_RNA) where: Base-Base interactions energy: -2137.003 where: short stacking energy: -939.493 Base-Backbone interact. energy: -1.898 local terms energy: -953.785695 where: bonds (distance) C4'-P energy: -163.442 bonds (distance) P-C4' energy: -171.396 flat angles C4'-P-C4' energy: -212.356 flat angles P-C4'-P energy: -126.892 tors. eta vs tors. theta energy: -279.699 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: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -2945.815356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.815356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.815356 (E_RNA) where: Base-Base interactions energy: -2081.088 where: short stacking energy: -857.005 Base-Backbone interact. energy: -4.773 local terms energy: -859.953813 where: bonds (distance) C4'-P energy: -134.986 bonds (distance) P-C4' energy: -169.789 flat angles C4'-P-C4' energy: -190.111 flat angles P-C4'-P energy: -116.394 tors. eta vs tors. theta energy: -248.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -2721.487843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2721.487843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2721.487843 (E_RNA) where: Base-Base interactions energy: -1888.830 where: short stacking energy: -771.568 Base-Backbone interact. energy: -6.993 local terms energy: -825.664617 where: bonds (distance) C4'-P energy: -148.712 bonds (distance) P-C4' energy: -171.734 flat angles C4'-P-C4' energy: -178.629 flat angles P-C4'-P energy: -111.989 tors. eta vs tors. theta energy: -214.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -2685.147147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2685.147147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2685.147147 (E_RNA) where: Base-Base interactions energy: -1872.639 where: short stacking energy: -836.377 Base-Backbone interact. energy: -1.481 local terms energy: -811.027431 where: bonds (distance) C4'-P energy: -144.954 bonds (distance) P-C4' energy: -148.756 flat angles C4'-P-C4' energy: -172.676 flat angles P-C4'-P energy: -117.368 tors. eta vs tors. theta energy: -227.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -2421.678547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2421.678547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2421.678547 (E_RNA) where: Base-Base interactions energy: -1655.005 where: short stacking energy: -730.637 Base-Backbone interact. energy: -4.624 local terms energy: -762.049468 where: bonds (distance) C4'-P energy: -153.190 bonds (distance) P-C4' energy: -160.281 flat angles C4'-P-C4' energy: -160.935 flat angles P-C4'-P energy: -99.024 tors. eta vs tors. theta energy: -188.619 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: 9 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -2110.572140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.572140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.572140 (E_RNA) where: Base-Base interactions energy: -1460.007 where: short stacking energy: -602.079 Base-Backbone interact. energy: -2.843 local terms energy: -647.722916 where: bonds (distance) C4'-P energy: -148.691 bonds (distance) P-C4' energy: -134.561 flat angles C4'-P-C4' energy: -168.474 flat angles P-C4'-P energy: -72.034 tors. eta vs tors. theta energy: -123.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -1684.864928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.864928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.864928 (E_RNA) where: Base-Base interactions energy: -1107.426 where: short stacking energy: -495.336 Base-Backbone interact. energy: 2.221 local terms energy: -579.660314 where: bonds (distance) C4'-P energy: -153.862 bonds (distance) P-C4' energy: -128.421 flat angles C4'-P-C4' energy: -139.676 flat angles P-C4'-P energy: -83.711 tors. eta vs tors. theta energy: -73.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -1209.466725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.466725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.466725 (E_RNA) where: Base-Base interactions energy: -681.682 where: short stacking energy: -339.423 Base-Backbone interact. energy: 1.436 local terms energy: -529.220472 where: bonds (distance) C4'-P energy: -139.260 bonds (distance) P-C4' energy: -140.405 flat angles C4'-P-C4' energy: -151.481 flat angles P-C4'-P energy: -82.166 tors. eta vs tors. theta energy: -15.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -3348.854950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3348.854950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3348.854950 (E_RNA) where: Base-Base interactions energy: -2378.513 where: short stacking energy: -973.613 Base-Backbone interact. energy: -0.104 local terms energy: -970.237196 where: bonds (distance) C4'-P energy: -190.482 bonds (distance) P-C4' energy: -170.420 flat angles C4'-P-C4' energy: -204.240 flat angles P-C4'-P energy: -131.399 tors. eta vs tors. theta energy: -273.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -3193.594116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3193.594116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3193.594116 (E_RNA) where: Base-Base interactions energy: -2229.382 where: short stacking energy: -939.215 Base-Backbone interact. energy: -3.505 local terms energy: -960.706484 where: bonds (distance) C4'-P energy: -190.302 bonds (distance) P-C4' energy: -187.046 flat angles C4'-P-C4' energy: -183.336 flat angles P-C4'-P energy: -135.645 tors. eta vs tors. theta energy: -264.377 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: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -3103.058996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3103.058996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3103.058996 (E_RNA) where: Base-Base interactions energy: -2135.220 where: short stacking energy: -938.354 Base-Backbone interact. energy: -6.471 local terms energy: -961.368098 where: bonds (distance) C4'-P energy: -180.563 bonds (distance) P-C4' energy: -166.419 flat angles C4'-P-C4' energy: -200.168 flat angles P-C4'-P energy: -141.025 tors. eta vs tors. theta energy: -273.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -2873.470657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2873.470657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2873.470657 (E_RNA) where: Base-Base interactions energy: -1974.066 where: short stacking energy: -834.446 Base-Backbone interact. energy: 4.591 local terms energy: -903.996025 where: bonds (distance) C4'-P energy: -166.958 bonds (distance) P-C4' energy: -168.338 flat angles C4'-P-C4' energy: -182.929 flat angles P-C4'-P energy: -137.676 tors. eta vs tors. theta energy: -248.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -2695.028197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2695.028197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2695.028197 (E_RNA) where: Base-Base interactions energy: -1823.933 where: short stacking energy: -786.447 Base-Backbone interact. energy: 2.856 local terms energy: -873.951851 where: bonds (distance) C4'-P energy: -172.117 bonds (distance) P-C4' energy: -155.718 flat angles C4'-P-C4' energy: -201.591 flat angles P-C4'-P energy: -114.279 tors. eta vs tors. theta energy: -230.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -2613.919264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2613.919264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2613.919264 (E_RNA) where: Base-Base interactions energy: -1800.279 where: short stacking energy: -742.559 Base-Backbone interact. energy: 0.950 local terms energy: -814.590350 where: bonds (distance) C4'-P energy: -147.972 bonds (distance) P-C4' energy: -155.659 flat angles C4'-P-C4' energy: -182.000 flat angles P-C4'-P energy: -130.956 tors. eta vs tors. theta energy: -198.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -2479.672568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.672568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.672568 (E_RNA) where: Base-Base interactions energy: -1679.821 where: short stacking energy: -734.268 Base-Backbone interact. energy: -2.830 local terms energy: -797.021498 where: bonds (distance) C4'-P energy: -163.088 bonds (distance) P-C4' energy: -156.408 flat angles C4'-P-C4' energy: -153.109 flat angles P-C4'-P energy: -123.630 tors. eta vs tors. theta energy: -200.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -2128.521713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.521713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.521713 (E_RNA) where: Base-Base interactions energy: -1454.644 where: short stacking energy: -613.257 Base-Backbone interact. energy: 0.714 local terms energy: -674.592351 where: bonds (distance) C4'-P energy: -149.484 bonds (distance) P-C4' energy: -144.110 flat angles C4'-P-C4' energy: -150.586 flat angles P-C4'-P energy: -92.414 tors. eta vs tors. theta energy: -137.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -1668.642887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.642887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.642887 (E_RNA) where: Base-Base interactions energy: -1053.832 where: short stacking energy: -485.693 Base-Backbone interact. energy: -3.512 local terms energy: -611.298167 where: bonds (distance) C4'-P energy: -130.848 bonds (distance) P-C4' energy: -142.512 flat angles C4'-P-C4' energy: -151.293 flat angles P-C4'-P energy: -106.831 tors. eta vs tors. theta energy: -79.814 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: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -1139.975940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.975940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.975940 (E_RNA) where: Base-Base interactions energy: -646.403 where: short stacking energy: -329.880 Base-Backbone interact. energy: -2.353 local terms energy: -491.220378 where: bonds (distance) C4'-P energy: -118.795 bonds (distance) P-C4' energy: -159.295 flat angles C4'-P-C4' energy: -140.988 flat angles P-C4'-P energy: -62.920 tors. eta vs tors. theta energy: -9.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -3325.669412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3325.669412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3325.669412 (E_RNA) where: Base-Base interactions energy: -2370.115 where: short stacking energy: -960.707 Base-Backbone interact. energy: -2.704 local terms energy: -952.850955 where: bonds (distance) C4'-P energy: -159.259 bonds (distance) P-C4' energy: -185.137 flat angles C4'-P-C4' energy: -202.244 flat angles P-C4'-P energy: -133.910 tors. eta vs tors. theta energy: -272.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -3206.347542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.347542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.347542 (E_RNA) where: Base-Base interactions energy: -2229.579 where: short stacking energy: -930.337 Base-Backbone interact. energy: -2.977 local terms energy: -973.792332 where: bonds (distance) C4'-P energy: -177.059 bonds (distance) P-C4' energy: -182.376 flat angles C4'-P-C4' energy: -209.179 flat angles P-C4'-P energy: -130.819 tors. eta vs tors. theta energy: -274.360 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: 3, replica: 1 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -3051.605498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.605498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.605498 (E_RNA) where: Base-Base interactions energy: -2124.606 where: short stacking energy: -916.909 Base-Backbone interact. energy: -1.383 local terms energy: -925.616893 where: bonds (distance) C4'-P energy: -177.715 bonds (distance) P-C4' energy: -158.401 flat angles C4'-P-C4' energy: -211.492 flat angles P-C4'-P energy: -109.397 tors. eta vs tors. theta energy: -268.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -2847.341223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2847.341223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2847.341223 (E_RNA) where: Base-Base interactions energy: -1946.338 where: short stacking energy: -824.089 Base-Backbone interact. energy: -2.538 local terms energy: -898.465129 where: bonds (distance) C4'-P energy: -168.918 bonds (distance) P-C4' energy: -159.245 flat angles C4'-P-C4' energy: -208.621 flat angles P-C4'-P energy: -125.258 tors. eta vs tors. theta energy: -236.424 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: 4 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -2726.994233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2726.994233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2726.994233 (E_RNA) where: Base-Base interactions energy: -1884.692 where: short stacking energy: -809.534 Base-Backbone interact. energy: 1.943 local terms energy: -844.245453 where: bonds (distance) C4'-P energy: -160.889 bonds (distance) P-C4' energy: -153.598 flat angles C4'-P-C4' energy: -172.107 flat angles P-C4'-P energy: -110.535 tors. eta vs tors. theta energy: -247.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -2617.735597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.735597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.735597 (E_RNA) where: Base-Base interactions energy: -1842.140 where: short stacking energy: -765.283 Base-Backbone interact. energy: 1.731 local terms energy: -777.326868 where: bonds (distance) C4'-P energy: -149.119 bonds (distance) P-C4' energy: -152.776 flat angles C4'-P-C4' energy: -173.219 flat angles P-C4'-P energy: -94.162 tors. eta vs tors. theta energy: -208.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -2493.669526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2493.669526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2493.669526 (E_RNA) where: Base-Base interactions energy: -1703.906 where: short stacking energy: -739.450 Base-Backbone interact. energy: -2.460 local terms energy: -787.303632 where: bonds (distance) C4'-P energy: -160.272 bonds (distance) P-C4' energy: -156.188 flat angles C4'-P-C4' energy: -172.330 flat angles P-C4'-P energy: -101.691 tors. eta vs tors. theta energy: -196.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -2116.485490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2116.485490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2116.485490 (E_RNA) where: Base-Base interactions energy: -1433.790 where: short stacking energy: -629.881 Base-Backbone interact. energy: 3.749 local terms energy: -686.444459 where: bonds (distance) C4'-P energy: -136.300 bonds (distance) P-C4' energy: -147.099 flat angles C4'-P-C4' energy: -163.954 flat angles P-C4'-P energy: -101.805 tors. eta vs tors. theta energy: -137.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -1702.692843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.692843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.692843 (E_RNA) where: Base-Base interactions energy: -1089.134 where: short stacking energy: -491.376 Base-Backbone interact. energy: 0.296 local terms energy: -613.854302 where: bonds (distance) C4'-P energy: -128.717 bonds (distance) P-C4' energy: -170.364 flat angles C4'-P-C4' energy: -140.584 flat angles P-C4'-P energy: -84.977 tors. eta vs tors. theta energy: -89.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -1151.823938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.823938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.823938 (E_RNA) where: Base-Base interactions energy: -627.936 where: short stacking energy: -307.271 Base-Backbone interact. energy: -2.783 local terms energy: -521.105180 where: bonds (distance) C4'-P energy: -173.605 bonds (distance) P-C4' energy: -138.230 flat angles C4'-P-C4' energy: -121.502 flat angles P-C4'-P energy: -66.234 tors. eta vs tors. theta energy: -21.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -3289.842829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3289.842829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3289.842829 (E_RNA) where: Base-Base interactions energy: -2310.515 where: short stacking energy: -970.489 Base-Backbone interact. energy: -6.070 local terms energy: -973.258551 where: bonds (distance) C4'-P energy: -170.780 bonds (distance) P-C4' energy: -188.130 flat angles C4'-P-C4' energy: -206.518 flat angles P-C4'-P energy: -139.071 tors. eta vs tors. theta energy: -268.759 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: 2, replica: 2 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -3236.434720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3236.434720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3236.434720 (E_RNA) where: Base-Base interactions energy: -2277.735 where: short stacking energy: -979.551 Base-Backbone interact. energy: -0.149 local terms energy: -958.550572 where: bonds (distance) C4'-P energy: -181.772 bonds (distance) P-C4' energy: -153.309 flat angles C4'-P-C4' energy: -198.262 flat angles P-C4'-P energy: -140.450 tors. eta vs tors. theta energy: -284.758 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: 1 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -3051.232615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.232615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.232615 (E_RNA) where: Base-Base interactions energy: -2161.887 where: short stacking energy: -927.873 Base-Backbone interact. energy: 3.645 local terms energy: -892.990485 where: bonds (distance) C4'-P energy: -137.797 bonds (distance) P-C4' energy: -177.616 flat angles C4'-P-C4' energy: -181.476 flat angles P-C4'-P energy: -126.481 tors. eta vs tors. theta energy: -269.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -2889.096677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2889.096677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2889.096677 (E_RNA) where: Base-Base interactions energy: -2003.868 where: short stacking energy: -855.729 Base-Backbone interact. energy: 2.163 local terms energy: -887.392317 where: bonds (distance) C4'-P energy: -175.377 bonds (distance) P-C4' energy: -150.156 flat angles C4'-P-C4' energy: -198.036 flat angles P-C4'-P energy: -126.056 tors. eta vs tors. theta energy: -237.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -2820.988380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.988380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.988380 (E_RNA) where: Base-Base interactions energy: -1962.479 where: short stacking energy: -845.723 Base-Backbone interact. energy: 0.312 local terms energy: -858.821469 where: bonds (distance) C4'-P energy: -162.982 bonds (distance) P-C4' energy: -162.314 flat angles C4'-P-C4' energy: -185.957 flat angles P-C4'-P energy: -121.030 tors. eta vs tors. theta energy: -226.538 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: 7 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -2624.076645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.076645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.076645 (E_RNA) where: Base-Base interactions energy: -1798.555 where: short stacking energy: -753.805 Base-Backbone interact. energy: -1.148 local terms energy: -824.374030 where: bonds (distance) C4'-P energy: -139.265 bonds (distance) P-C4' energy: -175.930 flat angles C4'-P-C4' energy: -180.198 flat angles P-C4'-P energy: -125.347 tors. eta vs tors. theta energy: -203.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -2513.013975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2513.013975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2513.013975 (E_RNA) where: Base-Base interactions energy: -1711.016 where: short stacking energy: -742.491 Base-Backbone interact. energy: -0.005 local terms energy: -801.992528 where: bonds (distance) C4'-P energy: -157.066 bonds (distance) P-C4' energy: -154.063 flat angles C4'-P-C4' energy: -174.316 flat angles P-C4'-P energy: -108.962 tors. eta vs tors. theta energy: -207.585 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: 9 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -2149.290910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2149.290910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2149.290910 (E_RNA) where: Base-Base interactions energy: -1452.683 where: short stacking energy: -618.581 Base-Backbone interact. energy: 0.962 local terms energy: -697.570327 where: bonds (distance) C4'-P energy: -141.688 bonds (distance) P-C4' energy: -141.181 flat angles C4'-P-C4' energy: -154.650 flat angles P-C4'-P energy: -113.637 tors. eta vs tors. theta energy: -146.414 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: 9, replica: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -1716.629312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.629312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.629312 (E_RNA) where: Base-Base interactions energy: -1103.857 where: short stacking energy: -518.242 Base-Backbone interact. energy: 0.620 local terms energy: -613.392420 where: bonds (distance) C4'-P energy: -151.015 bonds (distance) P-C4' energy: -160.880 flat angles C4'-P-C4' energy: -136.031 flat angles P-C4'-P energy: -82.332 tors. eta vs tors. theta energy: -83.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -1187.673020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.673020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.673020 (E_RNA) where: Base-Base interactions energy: -714.247 where: short stacking energy: -307.380 Base-Backbone interact. energy: 3.527 local terms energy: -476.952512 where: bonds (distance) C4'-P energy: -137.636 bonds (distance) P-C4' energy: -126.569 flat angles C4'-P-C4' energy: -139.127 flat angles P-C4'-P energy: -71.376 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -3329.502441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3329.502441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3329.502441 (E_RNA) where: Base-Base interactions energy: -2335.420 where: short stacking energy: -956.154 Base-Backbone interact. energy: -5.472 local terms energy: -988.610245 where: bonds (distance) C4'-P energy: -180.659 bonds (distance) P-C4' energy: -174.127 flat angles C4'-P-C4' energy: -210.553 flat angles P-C4'-P energy: -148.397 tors. eta vs tors. theta energy: -274.874 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: 2 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -3213.919647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.919647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.919647 (E_RNA) where: Base-Base interactions energy: -2266.308 where: short stacking energy: -938.086 Base-Backbone interact. energy: 1.091 local terms energy: -948.702972 where: bonds (distance) C4'-P energy: -169.783 bonds (distance) P-C4' energy: -173.444 flat angles C4'-P-C4' energy: -198.616 flat angles P-C4'-P energy: -138.015 tors. eta vs tors. theta energy: -268.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -3055.042042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3055.042042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3055.042042 (E_RNA) where: Base-Base interactions energy: -2113.495 where: short stacking energy: -912.197 Base-Backbone interact. energy: -0.618 local terms energy: -940.928283 where: bonds (distance) C4'-P energy: -161.623 bonds (distance) P-C4' energy: -176.518 flat angles C4'-P-C4' energy: -198.485 flat angles P-C4'-P energy: -136.082 tors. eta vs tors. theta energy: -268.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -2861.220915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2861.220915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2861.220915 (E_RNA) where: Base-Base interactions energy: -2001.364 where: short stacking energy: -833.481 Base-Backbone interact. energy: 5.961 local terms energy: -865.817348 where: bonds (distance) C4'-P energy: -152.885 bonds (distance) P-C4' energy: -163.264 flat angles C4'-P-C4' energy: -189.727 flat angles P-C4'-P energy: -122.755 tors. eta vs tors. theta energy: -237.187 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: 4 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -2793.910957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.910957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.910957 (E_RNA) where: Base-Base interactions energy: -1914.637 where: short stacking energy: -795.382 Base-Backbone interact. energy: -1.942 local terms energy: -877.331963 where: bonds (distance) C4'-P energy: -159.610 bonds (distance) P-C4' energy: -179.981 flat angles C4'-P-C4' energy: -187.919 flat angles P-C4'-P energy: -109.204 tors. eta vs tors. theta energy: -240.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -2594.100368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.100368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.100368 (E_RNA) where: Base-Base interactions energy: -1780.732 where: short stacking energy: -747.537 Base-Backbone interact. energy: -1.798 local terms energy: -811.570099 where: bonds (distance) C4'-P energy: -141.416 bonds (distance) P-C4' energy: -161.425 flat angles C4'-P-C4' energy: -179.708 flat angles P-C4'-P energy: -120.237 tors. eta vs tors. theta energy: -208.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -2535.922020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.922020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.922020 (E_RNA) where: Base-Base interactions energy: -1770.226 where: short stacking energy: -766.943 Base-Backbone interact. energy: -1.629 local terms energy: -764.067371 where: bonds (distance) C4'-P energy: -151.163 bonds (distance) P-C4' energy: -139.393 flat angles C4'-P-C4' energy: -173.273 flat angles P-C4'-P energy: -95.164 tors. eta vs tors. theta energy: -205.074 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: 8, replica: 9 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -2110.446052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2110.446052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2110.446052 (E_RNA) where: Base-Base interactions energy: -1442.205 where: short stacking energy: -626.368 Base-Backbone interact. energy: -1.165 local terms energy: -667.076776 where: bonds (distance) C4'-P energy: -145.354 bonds (distance) P-C4' energy: -150.102 flat angles C4'-P-C4' energy: -163.622 flat angles P-C4'-P energy: -65.508 tors. eta vs tors. theta energy: -142.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -1716.666200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.666200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.666200 (E_RNA) where: Base-Base interactions energy: -1113.785 where: short stacking energy: -477.088 Base-Backbone interact. energy: 1.555 local terms energy: -604.436041 where: bonds (distance) C4'-P energy: -137.593 bonds (distance) P-C4' energy: -135.697 flat angles C4'-P-C4' energy: -143.413 flat angles P-C4'-P energy: -107.083 tors. eta vs tors. theta energy: -80.650 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: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -1143.117839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.117839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.117839 (E_RNA) where: Base-Base interactions energy: -675.401 where: short stacking energy: -349.590 Base-Backbone interact. energy: -2.441 local terms energy: -465.275544 where: bonds (distance) C4'-P energy: -139.314 bonds (distance) P-C4' energy: -133.136 flat angles C4'-P-C4' energy: -107.925 flat angles P-C4'-P energy: -78.836 tors. eta vs tors. theta energy: -6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -3317.565159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3317.565159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3317.565159 (E_RNA) where: Base-Base interactions energy: -2345.257 where: short stacking energy: -956.981 Base-Backbone interact. energy: -4.360 local terms energy: -967.948711 where: bonds (distance) C4'-P energy: -182.764 bonds (distance) P-C4' energy: -175.802 flat angles C4'-P-C4' energy: -209.277 flat angles P-C4'-P energy: -123.103 tors. eta vs tors. theta energy: -277.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -3246.123855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3246.123855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3246.123855 (E_RNA) where: Base-Base interactions energy: -2266.184 where: short stacking energy: -947.006 Base-Backbone interact. energy: -1.734 local terms energy: -978.205749 where: bonds (distance) C4'-P energy: -178.452 bonds (distance) P-C4' energy: -183.275 flat angles C4'-P-C4' energy: -209.561 flat angles P-C4'-P energy: -143.834 tors. eta vs tors. theta energy: -263.083 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: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -3040.190079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3040.190079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3040.190079 (E_RNA) where: Base-Base interactions energy: -2141.356 where: short stacking energy: -933.394 Base-Backbone interact. energy: -2.061 local terms energy: -896.773390 where: bonds (distance) C4'-P energy: -151.207 bonds (distance) P-C4' energy: -180.119 flat angles C4'-P-C4' energy: -198.107 flat angles P-C4'-P energy: -112.474 tors. eta vs tors. theta energy: -254.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -2852.436197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2852.436197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2852.436197 (E_RNA) where: Base-Base interactions energy: -2004.608 where: short stacking energy: -811.761 Base-Backbone interact. energy: -5.517 local terms energy: -842.311216 where: bonds (distance) C4'-P energy: -153.720 bonds (distance) P-C4' energy: -147.496 flat angles C4'-P-C4' energy: -182.669 flat angles P-C4'-P energy: -124.909 tors. eta vs tors. theta energy: -233.518 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: 4 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -2765.206068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.206068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.206068 (E_RNA) where: Base-Base interactions energy: -1934.681 where: short stacking energy: -789.972 Base-Backbone interact. energy: -2.687 local terms energy: -827.837784 where: bonds (distance) C4'-P energy: -145.023 bonds (distance) P-C4' energy: -163.905 flat angles C4'-P-C4' energy: -187.512 flat angles P-C4'-P energy: -113.144 tors. eta vs tors. theta energy: -218.254 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: 7 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -2596.139189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.139189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.139189 (E_RNA) where: Base-Base interactions energy: -1781.264 where: short stacking energy: -759.240 Base-Backbone interact. energy: -2.446 local terms energy: -812.429367 where: bonds (distance) C4'-P energy: -154.393 bonds (distance) P-C4' energy: -159.555 flat angles C4'-P-C4' energy: -172.459 flat angles P-C4'-P energy: -124.827 tors. eta vs tors. theta energy: -201.195 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: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -2572.781650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.781650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.781650 (E_RNA) where: Base-Base interactions energy: -1762.939 where: short stacking energy: -761.678 Base-Backbone interact. energy: -1.496 local terms energy: -808.347313 where: bonds (distance) C4'-P energy: -146.292 bonds (distance) P-C4' energy: -155.718 flat angles C4'-P-C4' energy: -184.435 flat angles P-C4'-P energy: -115.879 tors. eta vs tors. theta energy: -206.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -2002.139377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2002.139377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2002.139377 (E_RNA) where: Base-Base interactions energy: -1324.627 where: short stacking energy: -589.477 Base-Backbone interact. energy: 3.083 local terms energy: -680.595857 where: bonds (distance) C4'-P energy: -143.192 bonds (distance) P-C4' energy: -142.016 flat angles C4'-P-C4' energy: -167.865 flat angles P-C4'-P energy: -100.774 tors. eta vs tors. theta energy: -126.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -1718.837157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.837157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.837157 (E_RNA) where: Base-Base interactions energy: -1134.915 where: short stacking energy: -485.944 Base-Backbone interact. energy: -2.429 local terms energy: -581.493640 where: bonds (distance) C4'-P energy: -139.178 bonds (distance) P-C4' energy: -151.072 flat angles C4'-P-C4' energy: -139.631 flat angles P-C4'-P energy: -68.338 tors. eta vs tors. theta energy: -83.274 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: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -1090.967283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.967283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.967283 (E_RNA) where: Base-Base interactions energy: -584.581 where: short stacking energy: -328.155 Base-Backbone interact. energy: 0.309 local terms energy: -506.695914 where: bonds (distance) C4'-P energy: -109.897 bonds (distance) P-C4' energy: -156.729 flat angles C4'-P-C4' energy: -151.811 flat angles P-C4'-P energy: -75.817 tors. eta vs tors. theta energy: -12.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -3331.636535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3331.636535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3331.636535 (E_RNA) where: Base-Base interactions energy: -2342.004 where: short stacking energy: -989.569 Base-Backbone interact. energy: -0.019 local terms energy: -989.614127 where: bonds (distance) C4'-P energy: -178.254 bonds (distance) P-C4' energy: -184.070 flat angles C4'-P-C4' energy: -209.563 flat angles P-C4'-P energy: -137.418 tors. eta vs tors. theta energy: -280.308 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: 2 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -3222.935959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3222.935959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3222.935959 (E_RNA) where: Base-Base interactions energy: -2275.198 where: short stacking energy: -935.478 Base-Backbone interact. energy: -0.585 local terms energy: -947.152443 where: bonds (distance) C4'-P energy: -169.216 bonds (distance) P-C4' energy: -187.268 flat angles C4'-P-C4' energy: -198.341 flat angles P-C4'-P energy: -127.264 tors. eta vs tors. theta energy: -265.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -2945.548253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2945.548253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2945.548253 (E_RNA) where: Base-Base interactions energy: -2017.010 where: short stacking energy: -843.479 Base-Backbone interact. energy: -1.819 local terms energy: -926.719109 where: bonds (distance) C4'-P energy: -166.145 bonds (distance) P-C4' energy: -179.556 flat angles C4'-P-C4' energy: -210.153 flat angles P-C4'-P energy: -128.589 tors. eta vs tors. theta energy: -242.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -2979.796889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2979.796889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2979.796889 (E_RNA) where: Base-Base interactions energy: -2055.881 where: short stacking energy: -851.761 Base-Backbone interact. energy: 0.940 local terms energy: -924.856187 where: bonds (distance) C4'-P energy: -166.704 bonds (distance) P-C4' energy: -179.106 flat angles C4'-P-C4' energy: -198.872 flat angles P-C4'-P energy: -142.595 tors. eta vs tors. theta energy: -237.580 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: 5, replica: 4 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -2767.258192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.258192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.258192 (E_RNA) where: Base-Base interactions energy: -1918.349 where: short stacking energy: -807.155 Base-Backbone interact. energy: -0.724 local terms energy: -848.184999 where: bonds (distance) C4'-P energy: -139.000 bonds (distance) P-C4' energy: -152.709 flat angles C4'-P-C4' energy: -192.574 flat angles P-C4'-P energy: -131.838 tors. eta vs tors. theta energy: -232.064 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: 7 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -2616.063359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.063359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.063359 (E_RNA) where: Base-Base interactions energy: -1773.230 where: short stacking energy: -747.865 Base-Backbone interact. energy: 1.432 local terms energy: -844.265214 where: bonds (distance) C4'-P energy: -156.964 bonds (distance) P-C4' energy: -164.464 flat angles C4'-P-C4' energy: -179.197 flat angles P-C4'-P energy: -131.636 tors. eta vs tors. theta energy: -212.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -2535.810947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2535.810947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2535.810947 (E_RNA) where: Base-Base interactions energy: -1738.293 where: short stacking energy: -742.777 Base-Backbone interact. energy: -2.543 local terms energy: -794.975720 where: bonds (distance) C4'-P energy: -135.554 bonds (distance) P-C4' energy: -155.039 flat angles C4'-P-C4' energy: -181.260 flat angles P-C4'-P energy: -119.496 tors. eta vs tors. theta energy: -203.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -2035.845690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2035.845690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2035.845690 (E_RNA) where: Base-Base interactions energy: -1377.823 where: short stacking energy: -590.210 Base-Backbone interact. energy: 5.228 local terms energy: -663.250206 where: bonds (distance) C4'-P energy: -139.823 bonds (distance) P-C4' energy: -148.960 flat angles C4'-P-C4' energy: -150.738 flat angles P-C4'-P energy: -95.108 tors. eta vs tors. theta energy: -128.622 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: 5 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -1625.813346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.813346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.813346 (E_RNA) where: Base-Base interactions energy: -1019.036 where: short stacking energy: -447.940 Base-Backbone interact. energy: 0.821 local terms energy: -607.598683 where: bonds (distance) C4'-P energy: -142.963 bonds (distance) P-C4' energy: -160.181 flat angles C4'-P-C4' energy: -152.381 flat angles P-C4'-P energy: -85.493 tors. eta vs tors. theta energy: -66.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -1142.375237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.375237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.375237 (E_RNA) where: Base-Base interactions energy: -653.684 where: short stacking energy: -343.921 Base-Backbone interact. energy: 1.967 local terms energy: -490.657724 where: bonds (distance) C4'-P energy: -147.818 bonds (distance) P-C4' energy: -128.093 flat angles C4'-P-C4' energy: -123.890 flat angles P-C4'-P energy: -75.583 tors. eta vs tors. theta energy: -15.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -3320.131753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3320.131753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3320.131753 (E_RNA) where: Base-Base interactions energy: -2352.038 where: short stacking energy: -958.356 Base-Backbone interact. energy: -4.405 local terms energy: -963.687967 where: bonds (distance) C4'-P energy: -177.865 bonds (distance) P-C4' energy: -177.663 flat angles C4'-P-C4' energy: -204.176 flat angles P-C4'-P energy: -144.894 tors. eta vs tors. theta energy: -259.090 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: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -3227.765044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3227.765044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3227.765044 (E_RNA) where: Base-Base interactions energy: -2297.337 where: short stacking energy: -970.762 Base-Backbone interact. energy: -1.962 local terms energy: -928.465610 where: bonds (distance) C4'-P energy: -160.831 bonds (distance) P-C4' energy: -165.398 flat angles C4'-P-C4' energy: -183.034 flat angles P-C4'-P energy: -148.017 tors. eta vs tors. theta energy: -271.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -2952.745520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2952.745520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2952.745520 (E_RNA) where: Base-Base interactions energy: -2044.655 where: short stacking energy: -865.866 Base-Backbone interact. energy: -5.422 local terms energy: -902.668876 where: bonds (distance) C4'-P energy: -162.363 bonds (distance) P-C4' energy: -176.564 flat angles C4'-P-C4' energy: -187.355 flat angles P-C4'-P energy: -122.211 tors. eta vs tors. theta energy: -254.176 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: 1 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -2969.916728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2969.916728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2969.916728 (E_RNA) where: Base-Base interactions energy: -2061.795 where: short stacking energy: -856.784 Base-Backbone interact. energy: -1.953 local terms energy: -906.168599 where: bonds (distance) C4'-P energy: -161.291 bonds (distance) P-C4' energy: -169.410 flat angles C4'-P-C4' energy: -192.986 flat angles P-C4'-P energy: -121.511 tors. eta vs tors. theta energy: -260.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -2780.897898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.897898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.897898 (E_RNA) where: Base-Base interactions energy: -1952.601 where: short stacking energy: -839.175 Base-Backbone interact. energy: -3.418 local terms energy: -824.878262 where: bonds (distance) C4'-P energy: -129.716 bonds (distance) P-C4' energy: -150.788 flat angles C4'-P-C4' energy: -177.707 flat angles P-C4'-P energy: -127.385 tors. eta vs tors. theta energy: -239.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -2616.905257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2616.905257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2616.905257 (E_RNA) where: Base-Base interactions energy: -1840.076 where: short stacking energy: -787.175 Base-Backbone interact. energy: 1.116 local terms energy: -777.945582 where: bonds (distance) C4'-P energy: -122.088 bonds (distance) P-C4' energy: -146.543 flat angles C4'-P-C4' energy: -177.526 flat angles P-C4'-P energy: -112.009 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: 7, replica: 7 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -2593.990105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2593.990105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2593.990105 (E_RNA) where: Base-Base interactions energy: -1779.589 where: short stacking energy: -726.538 Base-Backbone interact. energy: -3.794 local terms energy: -810.607866 where: bonds (distance) C4'-P energy: -159.045 bonds (distance) P-C4' energy: -168.398 flat angles C4'-P-C4' energy: -180.196 flat angles P-C4'-P energy: -106.587 tors. eta vs tors. theta energy: -196.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -2137.465112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2137.465112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2137.465112 (E_RNA) where: Base-Base interactions energy: -1431.574 where: short stacking energy: -644.251 Base-Backbone interact. energy: -3.349 local terms energy: -702.542599 where: bonds (distance) C4'-P energy: -144.694 bonds (distance) P-C4' energy: -140.376 flat angles C4'-P-C4' energy: -154.839 flat angles P-C4'-P energy: -97.989 tors. eta vs tors. theta energy: -164.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -1587.610024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.610024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.610024 (E_RNA) where: Base-Base interactions energy: -1029.169 where: short stacking energy: -465.875 Base-Backbone interact. energy: 8.742 local terms energy: -567.183028 where: bonds (distance) C4'-P energy: -137.891 bonds (distance) P-C4' energy: -145.097 flat angles C4'-P-C4' energy: -141.944 flat angles P-C4'-P energy: -56.640 tors. eta vs tors. theta energy: -85.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -1173.188775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.188775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.188775 (E_RNA) where: Base-Base interactions energy: -651.733 where: short stacking energy: -335.086 Base-Backbone interact. energy: -4.415 local terms energy: -517.041607 where: bonds (distance) C4'-P energy: -134.065 bonds (distance) P-C4' energy: -153.746 flat angles C4'-P-C4' energy: -121.960 flat angles P-C4'-P energy: -90.776 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: 6 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -3335.195151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3335.195151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3335.195151 (E_RNA) where: Base-Base interactions energy: -2365.316 where: short stacking energy: -958.354 Base-Backbone interact. energy: -6.079 local terms energy: -963.800406 where: bonds (distance) C4'-P energy: -170.818 bonds (distance) P-C4' energy: -177.189 flat angles C4'-P-C4' energy: -206.966 flat angles P-C4'-P energy: -139.206 tors. eta vs tors. theta energy: -269.621 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: 2, replica: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -3214.735395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3214.735395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3214.735395 (E_RNA) where: Base-Base interactions energy: -2266.312 where: short stacking energy: -938.728 Base-Backbone interact. energy: -0.891 local terms energy: -947.533023 where: bonds (distance) C4'-P energy: -161.068 bonds (distance) P-C4' energy: -190.978 flat angles C4'-P-C4' energy: -197.023 flat angles P-C4'-P energy: -131.371 tors. eta vs tors. theta energy: -267.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -2965.815206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.815206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.815206 (E_RNA) where: Base-Base interactions energy: -2064.005 where: short stacking energy: -869.479 Base-Backbone interact. energy: -4.912 local terms energy: -896.897769 where: bonds (distance) C4'-P energy: -168.638 bonds (distance) P-C4' energy: -164.514 flat angles C4'-P-C4' energy: -179.258 flat angles P-C4'-P energy: -136.525 tors. eta vs tors. theta energy: -247.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -2972.813493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.813493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.813493 (E_RNA) where: Base-Base interactions energy: -2073.948 where: short stacking energy: -885.423 Base-Backbone interact. energy: -0.724 local terms energy: -898.141364 where: bonds (distance) C4'-P energy: -155.632 bonds (distance) P-C4' energy: -167.520 flat angles C4'-P-C4' energy: -183.732 flat angles P-C4'-P energy: -133.017 tors. eta vs tors. theta energy: -258.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -2769.401891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2769.401891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2769.401891 (E_RNA) where: Base-Base interactions energy: -1929.599 where: short stacking energy: -785.088 Base-Backbone interact. energy: 4.262 local terms energy: -844.064882 where: bonds (distance) C4'-P energy: -139.668 bonds (distance) P-C4' energy: -162.416 flat angles C4'-P-C4' energy: -190.923 flat angles P-C4'-P energy: -119.334 tors. eta vs tors. theta energy: -231.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -2620.999327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.999327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.999327 (E_RNA) where: Base-Base interactions energy: -1801.403 where: short stacking energy: -773.884 Base-Backbone interact. energy: -0.033 local terms energy: -819.562954 where: bonds (distance) C4'-P energy: -153.941 bonds (distance) P-C4' energy: -155.794 flat angles C4'-P-C4' energy: -171.197 flat angles P-C4'-P energy: -111.156 tors. eta vs tors. theta energy: -227.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -2479.608503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2479.608503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2479.608503 (E_RNA) where: Base-Base interactions energy: -1749.927 where: short stacking energy: -732.199 Base-Backbone interact. energy: 1.074 local terms energy: -730.755325 where: bonds (distance) C4'-P energy: -128.221 bonds (distance) P-C4' energy: -149.488 flat angles C4'-P-C4' energy: -152.650 flat angles P-C4'-P energy: -102.549 tors. eta vs tors. theta energy: -197.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1956.732573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1956.732573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1956.732573 (E_RNA) where: Base-Base interactions energy: -1283.300 where: short stacking energy: -573.646 Base-Backbone interact. energy: 10.086 local terms energy: -683.519088 where: bonds (distance) C4'-P energy: -141.805 bonds (distance) P-C4' energy: -166.285 flat angles C4'-P-C4' energy: -157.005 flat angles P-C4'-P energy: -93.890 tors. eta vs tors. theta energy: -124.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -1608.944062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.944062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.944062 (E_RNA) where: Base-Base interactions energy: -999.246 where: short stacking energy: -485.804 Base-Backbone interact. energy: 0.542 local terms energy: -610.239540 where: bonds (distance) C4'-P energy: -135.950 bonds (distance) P-C4' energy: -146.195 flat angles C4'-P-C4' energy: -137.837 flat angles P-C4'-P energy: -99.561 tors. eta vs tors. theta energy: -90.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -1133.145185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.145185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.145185 (E_RNA) where: Base-Base interactions energy: -601.434 where: short stacking energy: -299.612 Base-Backbone interact. energy: -1.049 local terms energy: -530.661827 where: bonds (distance) C4'-P energy: -155.353 bonds (distance) P-C4' energy: -154.771 flat angles C4'-P-C4' energy: -142.004 flat angles P-C4'-P energy: -60.955 tors. eta vs tors. theta energy: -17.579 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: 6 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -3324.483191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3324.483191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3324.483191 (E_RNA) where: Base-Base interactions energy: -2318.054 where: short stacking energy: -947.785 Base-Backbone interact. energy: -7.823 local terms energy: -998.606371 where: bonds (distance) C4'-P energy: -181.818 bonds (distance) P-C4' energy: -180.675 flat angles C4'-P-C4' energy: -212.208 flat angles P-C4'-P energy: -146.954 tors. eta vs tors. theta energy: -276.951 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: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -3200.515388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.515388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.515388 (E_RNA) where: Base-Base interactions energy: -2275.035 where: short stacking energy: -953.850 Base-Backbone interact. energy: -2.180 local terms energy: -923.299665 where: bonds (distance) C4'-P energy: -164.665 bonds (distance) P-C4' energy: -166.896 flat angles C4'-P-C4' energy: -200.766 flat angles P-C4'-P energy: -131.943 tors. eta vs tors. theta energy: -259.029 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: 3, replica: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -2965.779966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2965.779966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2965.779966 (E_RNA) where: Base-Base interactions energy: -2036.838 where: short stacking energy: -881.235 Base-Backbone interact. energy: -2.094 local terms energy: -926.848520 where: bonds (distance) C4'-P energy: -174.759 bonds (distance) P-C4' energy: -179.892 flat angles C4'-P-C4' energy: -186.952 flat angles P-C4'-P energy: -121.569 tors. eta vs tors. theta energy: -263.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -2953.225031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2953.225031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2953.225031 (E_RNA) where: Base-Base interactions energy: -2045.889 where: short stacking energy: -894.873 Base-Backbone interact. energy: 0.237 local terms energy: -907.573233 where: bonds (distance) C4'-P energy: -166.555 bonds (distance) P-C4' energy: -159.320 flat angles C4'-P-C4' energy: -187.854 flat angles P-C4'-P energy: -127.503 tors. eta vs tors. theta energy: -266.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -2774.332723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.332723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.332723 (E_RNA) where: Base-Base interactions energy: -1943.687 where: short stacking energy: -796.252 Base-Backbone interact. energy: 0.175 local terms energy: -830.820767 where: bonds (distance) C4'-P energy: -151.417 bonds (distance) P-C4' energy: -153.472 flat angles C4'-P-C4' energy: -186.247 flat angles P-C4'-P energy: -106.603 tors. eta vs tors. theta energy: -233.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -2557.590088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.590088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.590088 (E_RNA) where: Base-Base interactions energy: -1750.110 where: short stacking energy: -719.497 Base-Backbone interact. energy: -3.120 local terms energy: -804.359799 where: bonds (distance) C4'-P energy: -138.948 bonds (distance) P-C4' energy: -155.262 flat angles C4'-P-C4' energy: -184.513 flat angles P-C4'-P energy: -129.229 tors. eta vs tors. theta energy: -196.408 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: 7, replica: 3 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -2467.842231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2467.842231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2467.842231 (E_RNA) where: Base-Base interactions energy: -1717.566 where: short stacking energy: -735.502 Base-Backbone interact. energy: 3.585 local terms energy: -753.860689 where: bonds (distance) C4'-P energy: -135.452 bonds (distance) P-C4' energy: -135.404 flat angles C4'-P-C4' energy: -177.907 flat angles P-C4'-P energy: -109.982 tors. eta vs tors. theta energy: -195.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1962.113927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1962.113927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1962.113927 (E_RNA) where: Base-Base interactions energy: -1277.213 where: short stacking energy: -552.320 Base-Backbone interact. energy: 4.783 local terms energy: -689.684255 where: bonds (distance) C4'-P energy: -139.093 bonds (distance) P-C4' energy: -159.927 flat angles C4'-P-C4' energy: -170.633 flat angles P-C4'-P energy: -107.291 tors. eta vs tors. theta energy: -112.739 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: 9, replica: 5 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -1602.243106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.243106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.243106 (E_RNA) where: Base-Base interactions energy: -1009.009 where: short stacking energy: -468.980 Base-Backbone interact. energy: 2.684 local terms energy: -595.918714 where: bonds (distance) C4'-P energy: -149.471 bonds (distance) P-C4' energy: -148.865 flat angles C4'-P-C4' energy: -144.856 flat angles P-C4'-P energy: -81.970 tors. eta vs tors. theta energy: -70.758 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: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -1163.337919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.337919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.337919 (E_RNA) where: Base-Base interactions energy: -628.795 where: short stacking energy: -317.728 Base-Backbone interact. energy: -2.338 local terms energy: -532.204170 where: bonds (distance) C4'-P energy: -127.818 bonds (distance) P-C4' energy: -157.718 flat angles C4'-P-C4' energy: -128.124 flat angles P-C4'-P energy: -96.334 tors. eta vs tors. theta energy: -22.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -3345.825208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3345.825208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3345.825208 (E_RNA) where: Base-Base interactions energy: -2366.657 where: short stacking energy: -985.556 Base-Backbone interact. energy: -1.418 local terms energy: -977.750567 where: bonds (distance) C4'-P energy: -175.298 bonds (distance) P-C4' energy: -180.489 flat angles C4'-P-C4' energy: -207.359 flat angles P-C4'-P energy: -132.779 tors. eta vs tors. theta energy: -281.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -3212.562373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3212.562373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3212.562373 (E_RNA) where: Base-Base interactions energy: -2238.948 where: short stacking energy: -952.387 Base-Backbone interact. energy: -3.650 local terms energy: -969.963695 where: bonds (distance) C4'-P energy: -171.168 bonds (distance) P-C4' energy: -197.568 flat angles C4'-P-C4' energy: -197.976 flat angles P-C4'-P energy: -129.478 tors. eta vs tors. theta energy: -273.774 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: 440 Temperature: 1.000000 Total energy: -3053.854574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.854574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.854574 (E_RNA) where: Base-Base interactions energy: -2138.875 where: short stacking energy: -940.586 Base-Backbone interact. energy: 0.238 local terms energy: -915.217173 where: bonds (distance) C4'-P energy: -167.805 bonds (distance) P-C4' energy: -163.929 flat angles C4'-P-C4' energy: -193.845 flat angles P-C4'-P energy: -103.883 tors. eta vs tors. theta energy: -285.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -2895.272479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.272479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.272479 (E_RNA) where: Base-Base interactions energy: -1991.087 where: short stacking energy: -854.994 Base-Backbone interact. energy: -0.432 local terms energy: -903.753899 where: bonds (distance) C4'-P energy: -187.099 bonds (distance) P-C4' energy: -152.598 flat angles C4'-P-C4' energy: -195.727 flat angles P-C4'-P energy: -123.591 tors. eta vs tors. theta energy: -244.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -2754.065083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2754.065083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2754.065083 (E_RNA) where: Base-Base interactions energy: -1935.708 where: short stacking energy: -806.749 Base-Backbone interact. energy: 3.330 local terms energy: -821.687350 where: bonds (distance) C4'-P energy: -152.057 bonds (distance) P-C4' energy: -156.488 flat angles C4'-P-C4' energy: -180.992 flat angles P-C4'-P energy: -94.762 tors. eta vs tors. theta energy: -237.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -2572.090381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2572.090381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2572.090381 (E_RNA) where: Base-Base interactions energy: -1757.122 where: short stacking energy: -743.658 Base-Backbone interact. energy: -0.138 local terms energy: -814.830208 where: bonds (distance) C4'-P energy: -138.697 bonds (distance) P-C4' energy: -158.116 flat angles C4'-P-C4' energy: -185.811 flat angles P-C4'-P energy: -114.437 tors. eta vs tors. theta energy: -217.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -2504.065841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2504.065841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2504.065841 (E_RNA) where: Base-Base interactions energy: -1703.094 where: short stacking energy: -742.304 Base-Backbone interact. energy: -1.960 local terms energy: -799.011698 where: bonds (distance) C4'-P energy: -138.558 bonds (distance) P-C4' energy: -167.566 flat angles C4'-P-C4' energy: -180.995 flat angles P-C4'-P energy: -108.885 tors. eta vs tors. theta energy: -203.007 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: 9 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -2019.954181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2019.954181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2019.954181 (E_RNA) where: Base-Base interactions energy: -1367.329 where: short stacking energy: -614.214 Base-Backbone interact. energy: -2.335 local terms energy: -650.290625 where: bonds (distance) C4'-P energy: -136.492 bonds (distance) P-C4' energy: -132.829 flat angles C4'-P-C4' energy: -145.769 flat angles P-C4'-P energy: -89.117 tors. eta vs tors. theta energy: -146.084 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: 9, replica: 5 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -1587.315715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.315715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.315715 (E_RNA) where: Base-Base interactions energy: -970.001 where: short stacking energy: -445.994 Base-Backbone interact. energy: 2.464 local terms energy: -619.778745 where: bonds (distance) C4'-P energy: -147.755 bonds (distance) P-C4' energy: -146.685 flat angles C4'-P-C4' energy: -152.299 flat angles P-C4'-P energy: -86.039 tors. eta vs tors. theta energy: -87.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -1186.279494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.279494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.279494 (E_RNA) where: Base-Base interactions energy: -691.319 where: short stacking energy: -343.533 Base-Backbone interact. energy: 8.134 local terms energy: -503.094052 where: bonds (distance) C4'-P energy: -134.215 bonds (distance) P-C4' energy: -149.206 flat angles C4'-P-C4' energy: -124.274 flat angles P-C4'-P energy: -82.493 tors. eta vs tors. theta energy: -12.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -3354.228508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3354.228508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3354.228508 (E_RNA) where: Base-Base interactions energy: -2357.848 where: short stacking energy: -977.539 Base-Backbone interact. energy: -3.761 local terms energy: -992.618943 where: bonds (distance) C4'-P energy: -165.124 bonds (distance) P-C4' energy: -192.517 flat angles C4'-P-C4' energy: -209.656 flat angles P-C4'-P energy: -144.820 tors. eta vs tors. theta energy: -280.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -3244.123532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3244.123532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3244.123532 (E_RNA) where: Base-Base interactions energy: -2286.932 where: short stacking energy: -968.931 Base-Backbone interact. energy: -3.048 local terms energy: -954.143241 where: bonds (distance) C4'-P energy: -160.483 bonds (distance) P-C4' energy: -168.468 flat angles C4'-P-C4' energy: -211.286 flat angles P-C4'-P energy: -143.168 tors. eta vs tors. theta energy: -270.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -3067.489702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.489702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.489702 (E_RNA) where: Base-Base interactions energy: -2113.338 where: short stacking energy: -917.170 Base-Backbone interact. energy: -0.196 local terms energy: -953.955749 where: bonds (distance) C4'-P energy: -173.145 bonds (distance) P-C4' energy: -175.507 flat angles C4'-P-C4' energy: -183.731 flat angles P-C4'-P energy: -145.857 tors. eta vs tors. theta energy: -275.715 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: 4, replica: 8 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -2919.853180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2919.853180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2919.853180 (E_RNA) where: Base-Base interactions energy: -2003.177 where: short stacking energy: -860.380 Base-Backbone interact. energy: 2.595 local terms energy: -919.270587 where: bonds (distance) C4'-P energy: -156.021 bonds (distance) P-C4' energy: -186.146 flat angles C4'-P-C4' energy: -201.956 flat angles P-C4'-P energy: -125.793 tors. eta vs tors. theta energy: -249.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -2758.558313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.558313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.558313 (E_RNA) where: Base-Base interactions energy: -1906.516 where: short stacking energy: -812.175 Base-Backbone interact. energy: 2.978 local terms energy: -855.020547 where: bonds (distance) C4'-P energy: -156.287 bonds (distance) P-C4' energy: -164.923 flat angles C4'-P-C4' energy: -177.664 flat angles P-C4'-P energy: -120.504 tors. eta vs tors. theta energy: -235.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -2633.499052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2633.499052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2633.499052 (E_RNA) where: Base-Base interactions energy: -1802.010 where: short stacking energy: -772.053 Base-Backbone interact. energy: -0.340 local terms energy: -831.149472 where: bonds (distance) C4'-P energy: -146.996 bonds (distance) P-C4' energy: -153.405 flat angles C4'-P-C4' energy: -179.530 flat angles P-C4'-P energy: -120.976 tors. eta vs tors. theta energy: -230.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -2485.403841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2485.403841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2485.403841 (E_RNA) where: Base-Base interactions energy: -1717.958 where: short stacking energy: -730.171 Base-Backbone interact. energy: 0.855 local terms energy: -768.300957 where: bonds (distance) C4'-P energy: -151.754 bonds (distance) P-C4' energy: -157.598 flat angles C4'-P-C4' energy: -158.873 flat angles P-C4'-P energy: -115.192 tors. eta vs tors. theta energy: -184.884 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: 9 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1946.103200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1946.103200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1946.103200 (E_RNA) where: Base-Base interactions energy: -1272.066 where: short stacking energy: -548.257 Base-Backbone interact. energy: 0.830 local terms energy: -674.867287 where: bonds (distance) C4'-P energy: -154.730 bonds (distance) P-C4' energy: -157.063 flat angles C4'-P-C4' energy: -153.178 flat angles P-C4'-P energy: -98.485 tors. eta vs tors. theta energy: -111.412 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: 9, replica: 5 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -1663.146090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.146090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.146090 (E_RNA) where: Base-Base interactions energy: -1057.528 where: short stacking energy: -469.105 Base-Backbone interact. energy: -3.165 local terms energy: -602.453288 where: bonds (distance) C4'-P energy: -160.066 bonds (distance) P-C4' energy: -149.407 flat angles C4'-P-C4' energy: -143.472 flat angles P-C4'-P energy: -77.398 tors. eta vs tors. theta energy: -72.110 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: 10, replica: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -1107.814057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.814057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.814057 (E_RNA) where: Base-Base interactions energy: -569.865 where: short stacking energy: -320.106 Base-Backbone interact. energy: 1.352 local terms energy: -539.301393 where: bonds (distance) C4'-P energy: -150.550 bonds (distance) P-C4' energy: -160.903 flat angles C4'-P-C4' energy: -138.112 flat angles P-C4'-P energy: -76.028 tors. eta vs tors. theta energy: -13.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -3330.843745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3330.843745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3330.843745 (E_RNA) where: Base-Base interactions energy: -2323.716 where: short stacking energy: -969.074 Base-Backbone interact. energy: -7.149 local terms energy: -999.979408 where: bonds (distance) C4'-P energy: -181.370 bonds (distance) P-C4' energy: -173.508 flat angles C4'-P-C4' energy: -225.582 flat angles P-C4'-P energy: -131.669 tors. eta vs tors. theta energy: -287.851 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: 2, replica: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -3235.949201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3235.949201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3235.949201 (E_RNA) where: Base-Base interactions energy: -2265.630 where: short stacking energy: -957.197 Base-Backbone interact. energy: -0.041 local terms energy: -970.277677 where: bonds (distance) C4'-P energy: -156.763 bonds (distance) P-C4' energy: -177.682 flat angles C4'-P-C4' energy: -215.306 flat angles P-C4'-P energy: -143.931 tors. eta vs tors. theta energy: -276.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -3059.850896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3059.850896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3059.850896 (E_RNA) where: Base-Base interactions energy: -2122.543 where: short stacking energy: -897.797 Base-Backbone interact. energy: -4.593 local terms energy: -932.715358 where: bonds (distance) C4'-P energy: -168.738 bonds (distance) P-C4' energy: -176.027 flat angles C4'-P-C4' energy: -200.259 flat angles P-C4'-P energy: -119.911 tors. eta vs tors. theta energy: -267.780 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: 4, replica: 8 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -2895.687087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.687087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.687087 (E_RNA) where: Base-Base interactions energy: -2027.573 where: short stacking energy: -849.808 Base-Backbone interact. energy: -0.704 local terms energy: -867.409914 where: bonds (distance) C4'-P energy: -165.020 bonds (distance) P-C4' energy: -154.554 flat angles C4'-P-C4' energy: -189.021 flat angles P-C4'-P energy: -128.088 tors. eta vs tors. theta energy: -230.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -2765.259290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.259290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.259290 (E_RNA) where: Base-Base interactions energy: -1879.539 where: short stacking energy: -811.655 Base-Backbone interact. energy: 0.108 local terms energy: -885.827650 where: bonds (distance) C4'-P energy: -186.585 bonds (distance) P-C4' energy: -174.399 flat angles C4'-P-C4' energy: -177.553 flat angles P-C4'-P energy: -125.136 tors. eta vs tors. theta energy: -222.154 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: 7 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -2559.289195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2559.289195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2559.289195 (E_RNA) where: Base-Base interactions energy: -1784.242 where: short stacking energy: -733.410 Base-Backbone interact. energy: 4.550 local terms energy: -779.597055 where: bonds (distance) C4'-P energy: -157.002 bonds (distance) P-C4' energy: -149.382 flat angles C4'-P-C4' energy: -160.208 flat angles P-C4'-P energy: -104.349 tors. eta vs tors. theta energy: -208.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -2495.205497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.205497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.205497 (E_RNA) where: Base-Base interactions energy: -1716.564 where: short stacking energy: -745.627 Base-Backbone interact. energy: 1.200 local terms energy: -779.841522 where: bonds (distance) C4'-P energy: -135.481 bonds (distance) P-C4' energy: -149.704 flat angles C4'-P-C4' energy: -179.887 flat angles P-C4'-P energy: -112.157 tors. eta vs tors. theta energy: -202.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1954.675176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1954.675176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1954.675176 (E_RNA) where: Base-Base interactions energy: -1299.654 where: short stacking energy: -558.617 Base-Backbone interact. energy: -4.026 local terms energy: -650.994803 where: bonds (distance) C4'-P energy: -146.748 bonds (distance) P-C4' energy: -126.327 flat angles C4'-P-C4' energy: -151.431 flat angles P-C4'-P energy: -90.530 tors. eta vs tors. theta energy: -135.959 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: 5 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -1638.814290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.814290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.814290 (E_RNA) where: Base-Base interactions energy: -1046.346 where: short stacking energy: -475.275 Base-Backbone interact. energy: -3.642 local terms energy: -588.825805 where: bonds (distance) C4'-P energy: -130.273 bonds (distance) P-C4' energy: -142.380 flat angles C4'-P-C4' energy: -140.467 flat angles P-C4'-P energy: -102.913 tors. eta vs tors. theta energy: -72.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -1092.518504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.518504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.518504 (E_RNA) where: Base-Base interactions energy: -611.917 where: short stacking energy: -322.326 Base-Backbone interact. energy: 0.502 local terms energy: -481.103843 where: bonds (distance) C4'-P energy: -111.289 bonds (distance) P-C4' energy: -134.146 flat angles C4'-P-C4' energy: -147.241 flat angles P-C4'-P energy: -81.936 tors. eta vs tors. theta energy: -6.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -3323.419849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.419849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.419849 (E_RNA) where: Base-Base interactions energy: -2351.171 where: short stacking energy: -981.671 Base-Backbone interact. energy: -4.020 local terms energy: -968.228971 where: bonds (distance) C4'-P energy: -151.210 bonds (distance) P-C4' energy: -188.896 flat angles C4'-P-C4' energy: -208.535 flat angles P-C4'-P energy: -141.281 tors. eta vs tors. theta energy: -278.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -3223.345442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.345442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.345442 (E_RNA) where: Base-Base interactions energy: -2260.811 where: short stacking energy: -953.726 Base-Backbone interact. energy: -1.816 local terms energy: -960.719320 where: bonds (distance) C4'-P energy: -172.006 bonds (distance) P-C4' energy: -181.913 flat angles C4'-P-C4' energy: -197.157 flat angles P-C4'-P energy: -133.411 tors. eta vs tors. theta energy: -276.232 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: 1 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -3081.766539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3081.766539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3081.766539 (E_RNA) where: Base-Base interactions energy: -2133.577 where: short stacking energy: -899.367 Base-Backbone interact. energy: -6.528 local terms energy: -941.662193 where: bonds (distance) C4'-P energy: -169.667 bonds (distance) P-C4' energy: -180.271 flat angles C4'-P-C4' energy: -201.808 flat angles P-C4'-P energy: -127.777 tors. eta vs tors. theta energy: -262.139 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: 8 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -2893.335986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2893.335986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2893.335986 (E_RNA) where: Base-Base interactions energy: -2030.515 where: short stacking energy: -858.254 Base-Backbone interact. energy: -6.122 local terms energy: -856.698952 where: bonds (distance) C4'-P energy: -128.631 bonds (distance) P-C4' energy: -182.026 flat angles C4'-P-C4' energy: -181.142 flat angles P-C4'-P energy: -125.223 tors. eta vs tors. theta energy: -239.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -2683.760307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2683.760307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2683.760307 (E_RNA) where: Base-Base interactions energy: -1891.977 where: short stacking energy: -803.810 Base-Backbone interact. energy: 3.097 local terms energy: -794.880408 where: bonds (distance) C4'-P energy: -157.094 bonds (distance) P-C4' energy: -144.124 flat angles C4'-P-C4' energy: -176.462 flat angles P-C4'-P energy: -112.579 tors. eta vs tors. theta energy: -204.621 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: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -2557.069948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2557.069948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2557.069948 (E_RNA) where: Base-Base interactions energy: -1765.492 where: short stacking energy: -708.328 Base-Backbone interact. energy: -4.106 local terms energy: -787.471737 where: bonds (distance) C4'-P energy: -138.059 bonds (distance) P-C4' energy: -156.215 flat angles C4'-P-C4' energy: -190.730 flat angles P-C4'-P energy: -104.876 tors. eta vs tors. theta energy: -197.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -2471.238451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2471.238451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2471.238451 (E_RNA) where: Base-Base interactions energy: -1708.808 where: short stacking energy: -741.166 Base-Backbone interact. energy: -1.030 local terms energy: -761.400734 where: bonds (distance) C4'-P energy: -141.543 bonds (distance) P-C4' energy: -158.307 flat angles C4'-P-C4' energy: -173.444 flat angles P-C4'-P energy: -98.559 tors. eta vs tors. theta energy: -189.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -2017.931895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2017.931895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2017.931895 (E_RNA) where: Base-Base interactions energy: -1316.296 where: short stacking energy: -590.745 Base-Backbone interact. energy: -0.545 local terms energy: -701.091059 where: bonds (distance) C4'-P energy: -149.673 bonds (distance) P-C4' energy: -174.628 flat angles C4'-P-C4' energy: -174.188 flat angles P-C4'-P energy: -80.621 tors. eta vs tors. theta energy: -121.981 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: 5 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -1621.300493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.300493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.300493 (E_RNA) where: Base-Base interactions energy: -1060.098 where: short stacking energy: -480.050 Base-Backbone interact. energy: -1.373 local terms energy: -559.828954 where: bonds (distance) C4'-P energy: -136.074 bonds (distance) P-C4' energy: -149.622 flat angles C4'-P-C4' energy: -128.137 flat angles P-C4'-P energy: -79.399 tors. eta vs tors. theta energy: -66.596 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: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -1120.318062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.318062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.318062 (E_RNA) where: Base-Base interactions energy: -636.440 where: short stacking energy: -345.133 Base-Backbone interact. energy: 0.329 local terms energy: -484.206371 where: bonds (distance) C4'-P energy: -100.012 bonds (distance) P-C4' energy: -152.187 flat angles C4'-P-C4' energy: -127.747 flat angles P-C4'-P energy: -78.374 tors. eta vs tors. theta energy: -25.887 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: 444 Temperature: 0.900000 Total energy: -3343.240003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3343.240003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3343.240003 (E_RNA) where: Base-Base interactions energy: -2303.183 where: short stacking energy: -978.965 Base-Backbone interact. energy: -2.664 local terms energy: -1037.393008 where: bonds (distance) C4'-P energy: -180.571 bonds (distance) P-C4' energy: -190.771 flat angles C4'-P-C4' energy: -211.197 flat angles P-C4'-P energy: -164.121 tors. eta vs tors. theta energy: -290.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -3209.719133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3209.719133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3209.719133 (E_RNA) where: Base-Base interactions energy: -2214.959 where: short stacking energy: -908.522 Base-Backbone interact. energy: -3.509 local terms energy: -991.251100 where: bonds (distance) C4'-P energy: -188.751 bonds (distance) P-C4' energy: -186.815 flat angles C4'-P-C4' energy: -208.320 flat angles P-C4'-P energy: -141.351 tors. eta vs tors. theta energy: -266.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -3057.920419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.920419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.920419 (E_RNA) where: Base-Base interactions energy: -2131.636 where: short stacking energy: -933.542 Base-Backbone interact. energy: 9.016 local terms energy: -935.300465 where: bonds (distance) C4'-P energy: -165.172 bonds (distance) P-C4' energy: -173.001 flat angles C4'-P-C4' energy: -206.960 flat angles P-C4'-P energy: -138.617 tors. eta vs tors. theta energy: -251.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -2899.443419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.443419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.443419 (E_RNA) where: Base-Base interactions energy: -2006.733 where: short stacking energy: -875.653 Base-Backbone interact. energy: -5.775 local terms energy: -886.935192 where: bonds (distance) C4'-P energy: -169.741 bonds (distance) P-C4' energy: -157.891 flat angles C4'-P-C4' energy: -202.935 flat angles P-C4'-P energy: -117.069 tors. eta vs tors. theta energy: -239.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -2758.164149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2758.164149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2758.164149 (E_RNA) where: Base-Base interactions energy: -1899.679 where: short stacking energy: -792.403 Base-Backbone interact. energy: -3.959 local terms energy: -854.525298 where: bonds (distance) C4'-P energy: -147.808 bonds (distance) P-C4' energy: -177.430 flat angles C4'-P-C4' energy: -184.816 flat angles P-C4'-P energy: -127.701 tors. eta vs tors. theta energy: -216.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -2519.416658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2519.416658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2519.416658 (E_RNA) where: Base-Base interactions energy: -1736.893 where: short stacking energy: -736.673 Base-Backbone interact. energy: -3.698 local terms energy: -778.825888 where: bonds (distance) C4'-P energy: -129.094 bonds (distance) P-C4' energy: -145.131 flat angles C4'-P-C4' energy: -187.446 flat angles P-C4'-P energy: -114.761 tors. eta vs tors. theta energy: -202.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -2466.330063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2466.330063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2466.330063 (E_RNA) where: Base-Base interactions energy: -1742.675 where: short stacking energy: -740.324 Base-Backbone interact. energy: -3.817 local terms energy: -719.837776 where: bonds (distance) C4'-P energy: -141.837 bonds (distance) P-C4' energy: -129.621 flat angles C4'-P-C4' energy: -165.187 flat angles P-C4'-P energy: -87.778 tors. eta vs tors. theta energy: -195.415 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: 8, replica: 9 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1935.089110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1935.089110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1935.089110 (E_RNA) where: Base-Base interactions energy: -1246.623 where: short stacking energy: -560.281 Base-Backbone interact. energy: -1.985 local terms energy: -686.480771 where: bonds (distance) C4'-P energy: -141.793 bonds (distance) P-C4' energy: -155.520 flat angles C4'-P-C4' energy: -173.541 flat angles P-C4'-P energy: -91.372 tors. eta vs tors. theta energy: -124.254 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: 9, replica: 5 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -1564.897683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.897683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.897683 (E_RNA) where: Base-Base interactions energy: -1036.169 where: short stacking energy: -474.053 Base-Backbone interact. energy: 1.766 local terms energy: -530.494550 where: bonds (distance) C4'-P energy: -117.992 bonds (distance) P-C4' energy: -125.004 flat angles C4'-P-C4' energy: -135.778 flat angles P-C4'-P energy: -86.794 tors. eta vs tors. theta energy: -64.926 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: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -1064.033666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.033666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.033666 (E_RNA) where: Base-Base interactions energy: -587.271 where: short stacking energy: -307.461 Base-Backbone interact. energy: -2.394 local terms energy: -474.368970 where: bonds (distance) C4'-P energy: -136.835 bonds (distance) P-C4' energy: -153.507 flat angles C4'-P-C4' energy: -108.561 flat angles P-C4'-P energy: -58.419 tors. eta vs tors. theta energy: -17.047 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: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -3333.887382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3333.887382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3333.887382 (E_RNA) where: Base-Base interactions energy: -2344.454 where: short stacking energy: -1000.555 Base-Backbone interact. energy: -0.563 local terms energy: -988.870406 where: bonds (distance) C4'-P energy: -178.761 bonds (distance) P-C4' energy: -180.762 flat angles C4'-P-C4' energy: -210.553 flat angles P-C4'-P energy: -139.215 tors. eta vs tors. theta energy: -279.580 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: 2 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -3215.207189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3215.207189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3215.207189 (E_RNA) where: Base-Base interactions energy: -2236.950 where: short stacking energy: -927.547 Base-Backbone interact. energy: -2.422 local terms energy: -975.835529 where: bonds (distance) C4'-P energy: -176.506 bonds (distance) P-C4' energy: -184.024 flat angles C4'-P-C4' energy: -196.004 flat angles P-C4'-P energy: -141.554 tors. eta vs tors. theta energy: -277.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -3058.805920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3058.805920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3058.805920 (E_RNA) where: Base-Base interactions energy: -2138.377 where: short stacking energy: -914.914 Base-Backbone interact. energy: -2.560 local terms energy: -917.868850 where: bonds (distance) C4'-P energy: -182.584 bonds (distance) P-C4' energy: -154.788 flat angles C4'-P-C4' energy: -195.945 flat angles P-C4'-P energy: -124.618 tors. eta vs tors. theta energy: -259.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -2845.223263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.223263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.223263 (E_RNA) where: Base-Base interactions energy: -1958.786 where: short stacking energy: -826.595 Base-Backbone interact. energy: -3.199 local terms energy: -883.238124 where: bonds (distance) C4'-P energy: -158.628 bonds (distance) P-C4' energy: -166.189 flat angles C4'-P-C4' energy: -195.287 flat angles P-C4'-P energy: -123.639 tors. eta vs tors. theta energy: -239.496 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: 5, replica: 4 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -2715.270694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2715.270694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2715.270694 (E_RNA) where: Base-Base interactions energy: -1891.182 where: short stacking energy: -826.818 Base-Backbone interact. energy: -3.111 local terms energy: -820.977263 where: bonds (distance) C4'-P energy: -150.618 bonds (distance) P-C4' energy: -149.673 flat angles C4'-P-C4' energy: -178.560 flat angles P-C4'-P energy: -115.219 tors. eta vs tors. theta energy: -226.907 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: 7 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -2612.835091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2612.835091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2612.835091 (E_RNA) where: Base-Base interactions energy: -1828.600 where: short stacking energy: -780.876 Base-Backbone interact. energy: -3.308 local terms energy: -780.927324 where: bonds (distance) C4'-P energy: -143.994 bonds (distance) P-C4' energy: -170.216 flat angles C4'-P-C4' energy: -158.611 flat angles P-C4'-P energy: -100.136 tors. eta vs tors. theta energy: -207.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -2448.464365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2448.464365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2448.464365 (E_RNA) where: Base-Base interactions energy: -1676.062 where: short stacking energy: -715.918 Base-Backbone interact. energy: -1.507 local terms energy: -770.895308 where: bonds (distance) C4'-P energy: -132.741 bonds (distance) P-C4' energy: -150.508 flat angles C4'-P-C4' energy: -169.340 flat angles P-C4'-P energy: -123.261 tors. eta vs tors. theta energy: -195.046 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: 9 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -2053.503580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2053.503580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2053.503580 (E_RNA) where: Base-Base interactions energy: -1326.637 where: short stacking energy: -595.113 Base-Backbone interact. energy: -3.000 local terms energy: -723.866604 where: bonds (distance) C4'-P energy: -142.774 bonds (distance) P-C4' energy: -161.999 flat angles C4'-P-C4' energy: -163.817 flat angles P-C4'-P energy: -113.419 tors. eta vs tors. theta energy: -141.857 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: 5 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -1533.243928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.243928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.243928 (E_RNA) where: Base-Base interactions energy: -940.159 where: short stacking energy: -439.425 Base-Backbone interact. energy: -5.562 local terms energy: -587.523198 where: bonds (distance) C4'-P energy: -133.897 bonds (distance) P-C4' energy: -148.949 flat angles C4'-P-C4' energy: -142.124 flat angles P-C4'-P energy: -85.029 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: 10, replica: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -1084.896455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.896455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.896455 (E_RNA) where: Base-Base interactions energy: -576.340 where: short stacking energy: -326.326 Base-Backbone interact. energy: -1.870 local terms energy: -506.686368 where: bonds (distance) C4'-P energy: -146.837 bonds (distance) P-C4' energy: -146.336 flat angles C4'-P-C4' energy: -126.973 flat angles P-C4'-P energy: -65.523 tors. eta vs tors. theta energy: -21.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -3336.773763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3336.773763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3336.773763 (E_RNA) where: Base-Base interactions energy: -2338.387 where: short stacking energy: -1010.824 Base-Backbone interact. energy: -5.825 local terms energy: -992.561573 where: bonds (distance) C4'-P energy: -181.688 bonds (distance) P-C4' energy: -171.455 flat angles C4'-P-C4' energy: -210.627 flat angles P-C4'-P energy: -136.838 tors. eta vs tors. theta energy: -291.954 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: 2 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -3183.376086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3183.376086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3183.376086 (E_RNA) where: Base-Base interactions energy: -2257.613 where: short stacking energy: -961.996 Base-Backbone interact. energy: -1.866 local terms energy: -923.896733 where: bonds (distance) C4'-P energy: -158.611 bonds (distance) P-C4' energy: -171.309 flat angles C4'-P-C4' energy: -201.393 flat angles P-C4'-P energy: -131.806 tors. eta vs tors. theta energy: -260.778 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: 1 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -3077.203179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3077.203179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3077.203179 (E_RNA) where: Base-Base interactions energy: -2156.896 where: short stacking energy: -920.193 Base-Backbone interact. energy: -0.237 local terms energy: -920.070202 where: bonds (distance) C4'-P energy: -165.115 bonds (distance) P-C4' energy: -176.776 flat angles C4'-P-C4' energy: -192.194 flat angles P-C4'-P energy: -119.501 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: 4, replica: 8 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -2845.137671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2845.137671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2845.137671 (E_RNA) where: Base-Base interactions energy: -2006.149 where: short stacking energy: -834.319 Base-Backbone interact. energy: -6.274 local terms energy: -832.713918 where: bonds (distance) C4'-P energy: -155.455 bonds (distance) P-C4' energy: -143.558 flat angles C4'-P-C4' energy: -184.062 flat angles P-C4'-P energy: -109.620 tors. eta vs tors. theta energy: -240.019 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: 4 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -2753.867201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2753.867201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2753.867201 (E_RNA) where: Base-Base interactions energy: -1915.753 where: short stacking energy: -807.966 Base-Backbone interact. energy: -1.552 local terms energy: -836.562086 where: bonds (distance) C4'-P energy: -156.721 bonds (distance) P-C4' energy: -153.595 flat angles C4'-P-C4' energy: -186.603 flat angles P-C4'-P energy: -114.581 tors. eta vs tors. theta energy: -225.061 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: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -2564.727684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2564.727684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2564.727684 (E_RNA) where: Base-Base interactions energy: -1837.315 where: short stacking energy: -766.150 Base-Backbone interact. energy: 8.966 local terms energy: -736.378351 where: bonds (distance) C4'-P energy: -124.602 bonds (distance) P-C4' energy: -148.881 flat angles C4'-P-C4' energy: -164.478 flat angles P-C4'-P energy: -99.879 tors. eta vs tors. theta energy: -198.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -2537.970489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2537.970489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2537.970489 (E_RNA) where: Base-Base interactions energy: -1713.215 where: short stacking energy: -748.773 Base-Backbone interact. energy: -4.770 local terms energy: -819.985257 where: bonds (distance) C4'-P energy: -147.694 bonds (distance) P-C4' energy: -152.624 flat angles C4'-P-C4' energy: -187.013 flat angles P-C4'-P energy: -114.868 tors. eta vs tors. theta energy: -217.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -2077.417526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.417526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.417526 (E_RNA) where: Base-Base interactions energy: -1378.054 where: short stacking energy: -598.733 Base-Backbone interact. energy: -2.792 local terms energy: -696.571794 where: bonds (distance) C4'-P energy: -151.320 bonds (distance) P-C4' energy: -160.573 flat angles C4'-P-C4' energy: -155.012 flat angles P-C4'-P energy: -93.163 tors. eta vs tors. theta energy: -136.505 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: 9, replica: 5 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -1596.946930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.946930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.946930 (E_RNA) where: Base-Base interactions energy: -1017.479 where: short stacking energy: -452.688 Base-Backbone interact. energy: 5.356 local terms energy: -584.823700 where: bonds (distance) C4'-P energy: -156.351 bonds (distance) P-C4' energy: -145.390 flat angles C4'-P-C4' energy: -150.076 flat angles P-C4'-P energy: -75.857 tors. eta vs tors. theta energy: -57.150 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: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -1105.332601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.332601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.332601 (E_RNA) where: Base-Base interactions energy: -587.616 where: short stacking energy: -299.692 Base-Backbone interact. energy: 4.181 local terms energy: -521.897971 where: bonds (distance) C4'-P energy: -140.785 bonds (distance) P-C4' energy: -154.473 flat angles C4'-P-C4' energy: -140.798 flat angles P-C4'-P energy: -75.279 tors. eta vs tors. theta energy: -10.564 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: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -3345.304767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3345.304767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3345.304767 (E_RNA) where: Base-Base interactions energy: -2344.388 where: short stacking energy: -999.181 Base-Backbone interact. energy: -0.039 local terms energy: -1000.877706 where: bonds (distance) C4'-P energy: -181.039 bonds (distance) P-C4' energy: -186.793 flat angles C4'-P-C4' energy: -200.873 flat angles P-C4'-P energy: -142.950 tors. eta vs tors. theta energy: -289.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -3180.686359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3180.686359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3180.686359 (E_RNA) where: Base-Base interactions energy: -2193.115 where: short stacking energy: -923.797 Base-Backbone interact. energy: -3.307 local terms energy: -984.264481 where: bonds (distance) C4'-P energy: -182.199 bonds (distance) P-C4' energy: -176.324 flat angles C4'-P-C4' energy: -203.189 flat angles P-C4'-P energy: -154.910 tors. eta vs tors. theta energy: -267.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -3070.486229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3070.486229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3070.486229 (E_RNA) where: Base-Base interactions energy: -2126.590 where: short stacking energy: -909.326 Base-Backbone interact. energy: -0.324 local terms energy: -943.571977 where: bonds (distance) C4'-P energy: -184.269 bonds (distance) P-C4' energy: -163.125 flat angles C4'-P-C4' energy: -198.718 flat angles P-C4'-P energy: -129.298 tors. eta vs tors. theta energy: -268.161 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: 8 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -2869.375984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2869.375984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2869.375984 (E_RNA) where: Base-Base interactions energy: -1983.774 where: short stacking energy: -844.061 Base-Backbone interact. energy: -1.396 local terms energy: -884.205343 where: bonds (distance) C4'-P energy: -147.694 bonds (distance) P-C4' energy: -172.201 flat angles C4'-P-C4' energy: -194.268 flat angles P-C4'-P energy: -112.657 tors. eta vs tors. theta energy: -257.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -2789.395210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.395210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.395210 (E_RNA) where: Base-Base interactions energy: -1932.747 where: short stacking energy: -796.169 Base-Backbone interact. energy: 3.043 local terms energy: -859.691564 where: bonds (distance) C4'-P energy: -155.555 bonds (distance) P-C4' energy: -160.042 flat angles C4'-P-C4' energy: -183.611 flat angles P-C4'-P energy: -116.413 tors. eta vs tors. theta energy: -244.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -2598.850325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2598.850325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2598.850325 (E_RNA) where: Base-Base interactions energy: -1798.593 where: short stacking energy: -750.243 Base-Backbone interact. energy: -6.020 local terms energy: -794.237527 where: bonds (distance) C4'-P energy: -153.354 bonds (distance) P-C4' energy: -166.229 flat angles C4'-P-C4' energy: -180.477 flat angles P-C4'-P energy: -91.227 tors. eta vs tors. theta energy: -202.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -2578.785831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2578.785831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2578.785831 (E_RNA) where: Base-Base interactions energy: -1775.814 where: short stacking energy: -756.594 Base-Backbone interact. energy: -1.810 local terms energy: -801.162037 where: bonds (distance) C4'-P energy: -160.199 bonds (distance) P-C4' energy: -150.394 flat angles C4'-P-C4' energy: -175.739 flat angles P-C4'-P energy: -109.538 tors. eta vs tors. theta energy: -205.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -2071.687408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2071.687408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2071.687408 (E_RNA) where: Base-Base interactions energy: -1391.102 where: short stacking energy: -600.136 Base-Backbone interact. energy: 2.388 local terms energy: -682.973606 where: bonds (distance) C4'-P energy: -147.028 bonds (distance) P-C4' energy: -146.832 flat angles C4'-P-C4' energy: -142.727 flat angles P-C4'-P energy: -116.938 tors. eta vs tors. theta energy: -129.448 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: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -1616.630465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.630465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.630465 (E_RNA) where: Base-Base interactions energy: -979.091 where: short stacking energy: -437.486 Base-Backbone interact. energy: 1.841 local terms energy: -639.380260 where: bonds (distance) C4'-P energy: -156.407 bonds (distance) P-C4' energy: -157.549 flat angles C4'-P-C4' energy: -146.692 flat angles P-C4'-P energy: -97.271 tors. eta vs tors. theta energy: -81.461 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: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -1076.831689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.831689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.831689 (E_RNA) where: Base-Base interactions energy: -599.575 where: short stacking energy: -311.876 Base-Backbone interact. energy: -0.911 local terms energy: -476.345466 where: bonds (distance) C4'-P energy: -127.555 bonds (distance) P-C4' energy: -149.391 flat angles C4'-P-C4' energy: -113.504 flat angles P-C4'-P energy: -76.135 tors. eta vs tors. theta energy: -9.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -3328.726248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3328.726248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3328.726248 (E_RNA) where: Base-Base interactions energy: -2339.590 where: short stacking energy: -1001.195 Base-Backbone interact. energy: -5.894 local terms energy: -983.241916 where: bonds (distance) C4'-P energy: -174.215 bonds (distance) P-C4' energy: -191.723 flat angles C4'-P-C4' energy: -201.219 flat angles P-C4'-P energy: -127.074 tors. eta vs tors. theta energy: -289.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -3201.803611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.803611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.803611 (E_RNA) where: Base-Base interactions energy: -2226.273 where: short stacking energy: -960.678 Base-Backbone interact. energy: -3.795 local terms energy: -971.735032 where: bonds (distance) C4'-P energy: -170.229 bonds (distance) P-C4' energy: -182.496 flat angles C4'-P-C4' energy: -196.905 flat angles P-C4'-P energy: -141.321 tors. eta vs tors. theta energy: -280.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -3061.301940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.301940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.301940 (E_RNA) where: Base-Base interactions energy: -2144.114 where: short stacking energy: -895.331 Base-Backbone interact. energy: 2.619 local terms energy: -919.807327 where: bonds (distance) C4'-P energy: -177.406 bonds (distance) P-C4' energy: -174.445 flat angles C4'-P-C4' energy: -184.626 flat angles P-C4'-P energy: -130.786 tors. eta vs tors. theta energy: -252.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -2848.582543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2848.582543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2848.582543 (E_RNA) where: Base-Base interactions energy: -1963.259 where: short stacking energy: -849.270 Base-Backbone interact. energy: -1.665 local terms energy: -883.658385 where: bonds (distance) C4'-P energy: -150.459 bonds (distance) P-C4' energy: -170.399 flat angles C4'-P-C4' energy: -197.106 flat angles P-C4'-P energy: -128.261 tors. eta vs tors. theta energy: -237.433 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: 4 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -2833.557275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2833.557275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2833.557275 (E_RNA) where: Base-Base interactions energy: -1993.660 where: short stacking energy: -833.851 Base-Backbone interact. energy: -2.111 local terms energy: -837.786794 where: bonds (distance) C4'-P energy: -148.458 bonds (distance) P-C4' energy: -160.810 flat angles C4'-P-C4' energy: -177.364 flat angles P-C4'-P energy: -116.768 tors. eta vs tors. theta energy: -234.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -2611.418977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.418977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.418977 (E_RNA) where: Base-Base interactions energy: -1831.635 where: short stacking energy: -789.596 Base-Backbone interact. energy: -1.308 local terms energy: -778.475686 where: bonds (distance) C4'-P energy: -122.851 bonds (distance) P-C4' energy: -156.974 flat angles C4'-P-C4' energy: -177.275 flat angles P-C4'-P energy: -97.677 tors. eta vs tors. theta energy: -223.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -2562.554447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2562.554447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2562.554447 (E_RNA) where: Base-Base interactions energy: -1727.190 where: short stacking energy: -761.274 Base-Backbone interact. energy: -3.003 local terms energy: -832.361009 where: bonds (distance) C4'-P energy: -158.498 bonds (distance) P-C4' energy: -159.440 flat angles C4'-P-C4' energy: -176.629 flat angles P-C4'-P energy: -110.734 tors. eta vs tors. theta energy: -227.059 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: 9 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -2082.307405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2082.307405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2082.307405 (E_RNA) where: Base-Base interactions energy: -1415.397 where: short stacking energy: -617.502 Base-Backbone interact. energy: -0.642 local terms energy: -666.268523 where: bonds (distance) C4'-P energy: -139.147 bonds (distance) P-C4' energy: -146.041 flat angles C4'-P-C4' energy: -167.019 flat angles P-C4'-P energy: -94.382 tors. eta vs tors. theta energy: -119.680 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: 5 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -1564.860501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.860501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.860501 (E_RNA) where: Base-Base interactions energy: -1026.118 where: short stacking energy: -462.159 Base-Backbone interact. energy: 0.497 local terms energy: -539.239975 where: bonds (distance) C4'-P energy: -117.690 bonds (distance) P-C4' energy: -155.826 flat angles C4'-P-C4' energy: -141.886 flat angles P-C4'-P energy: -70.609 tors. eta vs tors. theta energy: -53.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -1116.999725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.999725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.999725 (E_RNA) where: Base-Base interactions energy: -624.542 where: short stacking energy: -307.437 Base-Backbone interact. energy: -1.046 local terms energy: -491.411577 where: bonds (distance) C4'-P energy: -133.585 bonds (distance) P-C4' energy: -130.367 flat angles C4'-P-C4' energy: -137.208 flat angles P-C4'-P energy: -89.330 tors. eta vs tors. theta energy: -0.921 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: 1, replica: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -3319.393406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3319.393406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3319.393406 (E_RNA) where: Base-Base interactions energy: -2329.915 where: short stacking energy: -980.260 Base-Backbone interact. energy: -6.082 local terms energy: -983.396170 where: bonds (distance) C4'-P energy: -173.261 bonds (distance) P-C4' energy: -165.935 flat angles C4'-P-C4' energy: -212.428 flat angles P-C4'-P energy: -139.259 tors. eta vs tors. theta energy: -292.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -3173.528229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3173.528229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3173.528229 (E_RNA) where: Base-Base interactions energy: -2240.710 where: short stacking energy: -928.945 Base-Backbone interact. energy: -3.053 local terms energy: -929.765499 where: bonds (distance) C4'-P energy: -175.134 bonds (distance) P-C4' energy: -162.246 flat angles C4'-P-C4' energy: -200.901 flat angles P-C4'-P energy: -128.885 tors. eta vs tors. theta energy: -262.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -3057.697769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3057.697769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3057.697769 (E_RNA) where: Base-Base interactions energy: -2107.709 where: short stacking energy: -928.794 Base-Backbone interact. energy: 4.964 local terms energy: -954.953309 where: bonds (distance) C4'-P energy: -174.129 bonds (distance) P-C4' energy: -186.761 flat angles C4'-P-C4' energy: -193.288 flat angles P-C4'-P energy: -133.659 tors. eta vs tors. theta energy: -267.116 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: 449 Temperature: 1.050000 Total energy: -2818.840674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2818.840674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2818.840674 (E_RNA) where: Base-Base interactions energy: -1976.096 where: short stacking energy: -845.191 Base-Backbone interact. energy: -2.676 local terms energy: -840.068672 where: bonds (distance) C4'-P energy: -158.931 bonds (distance) P-C4' energy: -160.464 flat angles C4'-P-C4' energy: -170.149 flat angles P-C4'-P energy: -108.998 tors. eta vs tors. theta energy: -241.529 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: 5, replica: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -2846.724364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2846.724364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2846.724364 (E_RNA) where: Base-Base interactions energy: -1988.319 where: short stacking energy: -819.761 Base-Backbone interact. energy: -3.405 local terms energy: -855.000739 where: bonds (distance) C4'-P energy: -153.935 bonds (distance) P-C4' energy: -142.304 flat angles C4'-P-C4' energy: -189.371 flat angles P-C4'-P energy: -133.351 tors. eta vs tors. theta energy: -236.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -2596.638487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2596.638487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2596.638487 (E_RNA) where: Base-Base interactions energy: -1777.033 where: short stacking energy: -744.825 Base-Backbone interact. energy: -4.684 local terms energy: -814.921985 where: bonds (distance) C4'-P energy: -157.513 bonds (distance) P-C4' energy: -147.107 flat angles C4'-P-C4' energy: -192.872 flat angles P-C4'-P energy: -105.501 tors. eta vs tors. theta energy: -211.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -2548.020795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2548.020795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2548.020795 (E_RNA) where: Base-Base interactions energy: -1779.461 where: short stacking energy: -749.830 Base-Backbone interact. energy: 7.627 local terms energy: -776.187182 where: bonds (distance) C4'-P energy: -136.068 bonds (distance) P-C4' energy: -147.541 flat angles C4'-P-C4' energy: -163.925 flat angles P-C4'-P energy: -120.256 tors. eta vs tors. theta energy: -208.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -2012.534066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2012.534066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2012.534066 (E_RNA) where: Base-Base interactions energy: -1344.281 where: short stacking energy: -556.362 Base-Backbone interact. energy: 0.885 local terms energy: -669.138185 where: bonds (distance) C4'-P energy: -141.221 bonds (distance) P-C4' energy: -162.521 flat angles C4'-P-C4' energy: -163.591 flat angles P-C4'-P energy: -79.793 tors. eta vs tors. theta energy: -122.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -1595.130582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.130582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.130582 (E_RNA) where: Base-Base interactions energy: -1007.297 where: short stacking energy: -481.632 Base-Backbone interact. energy: 1.707 local terms energy: -589.540913 where: bonds (distance) C4'-P energy: -128.186 bonds (distance) P-C4' energy: -159.625 flat angles C4'-P-C4' energy: -167.221 flat angles P-C4'-P energy: -72.169 tors. eta vs tors. theta energy: -62.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -1113.447037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.447037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.447037 (E_RNA) where: Base-Base interactions energy: -613.743 where: short stacking energy: -321.238 Base-Backbone interact. energy: -1.325 local terms energy: -498.378625 where: bonds (distance) C4'-P energy: -129.526 bonds (distance) P-C4' energy: -147.224 flat angles C4'-P-C4' energy: -125.187 flat angles P-C4'-P energy: -86.284 tors. eta vs tors. theta energy: -10.158 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: 6 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -3337.166204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3337.166204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3337.166204 (E_RNA) where: Base-Base interactions energy: -2323.337 where: short stacking energy: -985.590 Base-Backbone interact. energy: -3.118 local terms energy: -1010.710819 where: bonds (distance) C4'-P energy: -184.689 bonds (distance) P-C4' energy: -182.419 flat angles C4'-P-C4' energy: -222.874 flat angles P-C4'-P energy: -142.662 tors. eta vs tors. theta energy: -278.067 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: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -3226.035557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.035557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.035557 (E_RNA) where: Base-Base interactions energy: -2280.211 where: short stacking energy: -929.729 Base-Backbone interact. energy: -3.699 local terms energy: -942.125689 where: bonds (distance) C4'-P energy: -180.602 bonds (distance) P-C4' energy: -168.652 flat angles C4'-P-C4' energy: -199.132 flat angles P-C4'-P energy: -125.594 tors. eta vs tors. theta energy: -268.145 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: 450 Temperature: 1.000000 Total energy: -3018.739971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.739971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.739971 (E_RNA) where: Base-Base interactions energy: -2107.753 where: short stacking energy: -923.157 Base-Backbone interact. energy: -0.113 local terms energy: -910.874335 where: bonds (distance) C4'-P energy: -150.593 bonds (distance) P-C4' energy: -171.018 flat angles C4'-P-C4' energy: -196.318 flat angles P-C4'-P energy: -121.350 tors. eta vs tors. theta energy: -271.597 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: 8 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -2857.986861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2857.986861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2857.986861 (E_RNA) where: Base-Base interactions energy: -1989.148 where: short stacking energy: -829.838 Base-Backbone interact. energy: -3.092 local terms energy: -865.747365 where: bonds (distance) C4'-P energy: -166.765 bonds (distance) P-C4' energy: -155.324 flat angles C4'-P-C4' energy: -189.136 flat angles P-C4'-P energy: -126.396 tors. eta vs tors. theta energy: -228.127 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: 450 Temperature: 1.100000 Total energy: -2806.065006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2806.065006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2806.065006 (E_RNA) where: Base-Base interactions energy: -1942.041 where: short stacking energy: -804.274 Base-Backbone interact. energy: -4.348 local terms energy: -859.675797 where: bonds (distance) C4'-P energy: -159.125 bonds (distance) P-C4' energy: -156.750 flat angles C4'-P-C4' energy: -183.829 flat angles P-C4'-P energy: -124.476 tors. eta vs tors. theta energy: -235.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -2609.018133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.018133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.018133 (E_RNA) where: Base-Base interactions energy: -1784.667 where: short stacking energy: -733.613 Base-Backbone interact. energy: -4.069 local terms energy: -820.282536 where: bonds (distance) C4'-P energy: -166.853 bonds (distance) P-C4' energy: -172.958 flat angles C4'-P-C4' energy: -174.560 flat angles P-C4'-P energy: -101.544 tors. eta vs tors. theta energy: -204.368 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: 7, replica: 3 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -2582.648845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2582.648845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2582.648845 (E_RNA) where: Base-Base interactions energy: -1756.406 where: short stacking energy: -774.219 Base-Backbone interact. energy: 1.833 local terms energy: -828.074940 where: bonds (distance) C4'-P energy: -155.529 bonds (distance) P-C4' energy: -174.958 flat angles C4'-P-C4' energy: -157.000 flat angles P-C4'-P energy: -124.864 tors. eta vs tors. theta energy: -215.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -2066.180945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2066.180945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2066.180945 (E_RNA) where: Base-Base interactions energy: -1428.588 where: short stacking energy: -624.270 Base-Backbone interact. energy: -4.069 local terms energy: -633.524143 where: bonds (distance) C4'-P energy: -134.283 bonds (distance) P-C4' energy: -141.061 flat angles C4'-P-C4' energy: -148.910 flat angles P-C4'-P energy: -81.370 tors. eta vs tors. theta energy: -127.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -1670.998986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.998986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.998986 (E_RNA) where: Base-Base interactions energy: -1040.006 where: short stacking energy: -473.863 Base-Backbone interact. energy: 0.401 local terms energy: -631.394085 where: bonds (distance) C4'-P energy: -143.508 bonds (distance) P-C4' energy: -142.939 flat angles C4'-P-C4' energy: -153.754 flat angles P-C4'-P energy: -100.796 tors. eta vs tors. theta energy: -90.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -1209.693604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.693604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.693604 (E_RNA) where: Base-Base interactions energy: -714.815 where: short stacking energy: -366.110 Base-Backbone interact. energy: 0.573 local terms energy: -495.451430 where: bonds (distance) C4'-P energy: -118.572 bonds (distance) P-C4' energy: -132.882 flat angles C4'-P-C4' energy: -125.778 flat angles P-C4'-P energy: -78.088 tors. eta vs tors. theta energy: -40.131 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: 6 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -3321.611427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3321.611427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3321.611427 (E_RNA) where: Base-Base interactions energy: -2319.373 where: short stacking energy: -1001.328 Base-Backbone interact. energy: -4.387 local terms energy: -997.851041 where: bonds (distance) C4'-P energy: -169.500 bonds (distance) P-C4' energy: -197.826 flat angles C4'-P-C4' energy: -207.543 flat angles P-C4'-P energy: -136.587 tors. eta vs tors. theta energy: -286.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -3201.950269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3201.950269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3201.950269 (E_RNA) where: Base-Base interactions energy: -2246.748 where: short stacking energy: -925.865 Base-Backbone interact. energy: 2.447 local terms energy: -957.648917 where: bonds (distance) C4'-P energy: -166.454 bonds (distance) P-C4' energy: -179.659 flat angles C4'-P-C4' energy: -200.654 flat angles P-C4'-P energy: -138.119 tors. eta vs tors. theta energy: -272.763 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: 1 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -3000.358958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3000.358958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3000.358958 (E_RNA) where: Base-Base interactions energy: -2104.681 where: short stacking energy: -884.183 Base-Backbone interact. energy: -1.541 local terms energy: -894.136997 where: bonds (distance) C4'-P energy: -162.869 bonds (distance) P-C4' energy: -157.456 flat angles C4'-P-C4' energy: -189.356 flat angles P-C4'-P energy: -129.527 tors. eta vs tors. theta energy: -254.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -2838.193883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2838.193883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2838.193883 (E_RNA) where: Base-Base interactions energy: -1976.091 where: short stacking energy: -821.599 Base-Backbone interact. energy: -2.672 local terms energy: -859.430292 where: bonds (distance) C4'-P energy: -153.868 bonds (distance) P-C4' energy: -152.182 flat angles C4'-P-C4' energy: -190.792 flat angles P-C4'-P energy: -123.549 tors. eta vs tors. theta energy: -239.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -2827.716826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2827.716826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2827.716826 (E_RNA) where: Base-Base interactions energy: -1965.832 where: short stacking energy: -808.052 Base-Backbone interact. energy: -3.439 local terms energy: -858.445776 where: bonds (distance) C4'-P energy: -129.702 bonds (distance) P-C4' energy: -164.410 flat angles C4'-P-C4' energy: -198.630 flat angles P-C4'-P energy: -129.293 tors. eta vs tors. theta energy: -236.410 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: 3 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -2599.229370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2599.229370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2599.229370 (E_RNA) where: Base-Base interactions energy: -1793.292 where: short stacking energy: -786.754 Base-Backbone interact. energy: 7.864 local terms energy: -813.801349 where: bonds (distance) C4'-P energy: -160.892 bonds (distance) P-C4' energy: -158.975 flat angles C4'-P-C4' energy: -165.011 flat angles P-C4'-P energy: -127.366 tors. eta vs tors. theta energy: -201.557 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: 7 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -2532.504102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2532.504102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2532.504102 (E_RNA) where: Base-Base interactions energy: -1762.011 where: short stacking energy: -758.273 Base-Backbone interact. energy: -0.327 local terms energy: -770.166340 where: bonds (distance) C4'-P energy: -153.467 bonds (distance) P-C4' energy: -141.621 flat angles C4'-P-C4' energy: -171.944 flat angles P-C4'-P energy: -97.797 tors. eta vs tors. theta energy: -205.337 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: 9 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -2040.280314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2040.280314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2040.280314 (E_RNA) where: Base-Base interactions energy: -1348.175 where: short stacking energy: -552.869 Base-Backbone interact. energy: 3.909 local terms energy: -696.014165 where: bonds (distance) C4'-P energy: -149.734 bonds (distance) P-C4' energy: -155.012 flat angles C4'-P-C4' energy: -160.006 flat angles P-C4'-P energy: -105.631 tors. eta vs tors. theta energy: -125.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -1683.517199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.517199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.517199 (E_RNA) where: Base-Base interactions energy: -1062.180 where: short stacking energy: -487.730 Base-Backbone interact. energy: -1.715 local terms energy: -619.622093 where: bonds (distance) C4'-P energy: -171.048 bonds (distance) P-C4' energy: -130.681 flat angles C4'-P-C4' energy: -127.798 flat angles P-C4'-P energy: -103.350 tors. eta vs tors. theta energy: -86.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -1134.359157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.359157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.359157 (E_RNA) where: Base-Base interactions energy: -602.197 where: short stacking energy: -286.435 Base-Backbone interact. energy: -1.252 local terms energy: -530.910092 where: bonds (distance) C4'-P energy: -148.460 bonds (distance) P-C4' energy: -149.007 flat angles C4'-P-C4' energy: -145.000 flat angles P-C4'-P energy: -87.220 tors. eta vs tors. theta energy: -1.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -3321.378537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3321.378537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3321.378537 (E_RNA) where: Base-Base interactions energy: -2325.509 where: short stacking energy: -988.872 Base-Backbone interact. energy: -4.097 local terms energy: -991.772609 where: bonds (distance) C4'-P energy: -162.115 bonds (distance) P-C4' energy: -175.187 flat angles C4'-P-C4' energy: -204.194 flat angles P-C4'-P energy: -158.457 tors. eta vs tors. theta energy: -291.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -3190.462583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3190.462583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3190.462583 (E_RNA) where: Base-Base interactions energy: -2219.685 where: short stacking energy: -932.972 Base-Backbone interact. energy: -4.369 local terms energy: -966.408973 where: bonds (distance) C4'-P energy: -175.740 bonds (distance) P-C4' energy: -180.175 flat angles C4'-P-C4' energy: -217.685 flat angles P-C4'-P energy: -124.593 tors. eta vs tors. theta energy: -268.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -3039.195190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.195190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.195190 (E_RNA) where: Base-Base interactions energy: -2096.946 where: short stacking energy: -897.525 Base-Backbone interact. energy: -0.418 local terms energy: -941.831483 where: bonds (distance) C4'-P energy: -169.773 bonds (distance) P-C4' energy: -183.096 flat angles C4'-P-C4' energy: -203.927 flat angles P-C4'-P energy: -122.035 tors. eta vs tors. theta energy: -263.000 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: 4, replica: 8 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -2820.845849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2820.845849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2820.845849 (E_RNA) where: Base-Base interactions energy: -1941.536 where: short stacking energy: -830.020 Base-Backbone interact. energy: -5.565 local terms energy: -873.744783 where: bonds (distance) C4'-P energy: -171.451 bonds (distance) P-C4' energy: -168.038 flat angles C4'-P-C4' energy: -193.545 flat angles P-C4'-P energy: -117.362 tors. eta vs tors. theta energy: -223.349 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: 4 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -2808.966686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.966686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.966686 (E_RNA) where: Base-Base interactions energy: -1953.624 where: short stacking energy: -807.596 Base-Backbone interact. energy: -3.933 local terms energy: -851.409968 where: bonds (distance) C4'-P energy: -144.471 bonds (distance) P-C4' energy: -163.836 flat angles C4'-P-C4' energy: -190.380 flat angles P-C4'-P energy: -118.547 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: 6, replica: 3 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -2575.130015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2575.130015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2575.130015 (E_RNA) where: Base-Base interactions energy: -1761.030 where: short stacking energy: -745.950 Base-Backbone interact. energy: 2.731 local terms energy: -816.831759 where: bonds (distance) C4'-P energy: -148.182 bonds (distance) P-C4' energy: -162.548 flat angles C4'-P-C4' energy: -177.953 flat angles P-C4'-P energy: -115.825 tors. eta vs tors. theta energy: -212.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -2495.944505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2495.944505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2495.944505 (E_RNA) where: Base-Base interactions energy: -1723.259 where: short stacking energy: -732.237 Base-Backbone interact. energy: 3.103 local terms energy: -775.788735 where: bonds (distance) C4'-P energy: -144.154 bonds (distance) P-C4' energy: -138.936 flat angles C4'-P-C4' energy: -174.440 flat angles P-C4'-P energy: -118.765 tors. eta vs tors. theta energy: -199.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -2046.666769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2046.666769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2046.666769 (E_RNA) where: Base-Base interactions energy: -1364.780 where: short stacking energy: -610.277 Base-Backbone interact. energy: -0.703 local terms energy: -681.183053 where: bonds (distance) C4'-P energy: -144.422 bonds (distance) P-C4' energy: -170.948 flat angles C4'-P-C4' energy: -150.394 flat angles P-C4'-P energy: -86.805 tors. eta vs tors. theta energy: -128.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -1830.034564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.034564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.034564 (E_RNA) where: Base-Base interactions energy: -1171.537 where: short stacking energy: -518.320 Base-Backbone interact. energy: 0.877 local terms energy: -659.373856 where: bonds (distance) C4'-P energy: -147.763 bonds (distance) P-C4' energy: -167.995 flat angles C4'-P-C4' energy: -142.827 flat angles P-C4'-P energy: -92.204 tors. eta vs tors. theta energy: -108.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -1164.227325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.227325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.227325 (E_RNA) where: Base-Base interactions energy: -676.436 where: short stacking energy: -351.762 Base-Backbone interact. energy: 0.886 local terms energy: -488.676796 where: bonds (distance) C4'-P energy: -128.939 bonds (distance) P-C4' energy: -145.475 flat angles C4'-P-C4' energy: -144.385 flat angles P-C4'-P energy: -53.788 tors. eta vs tors. theta energy: -16.089 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: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -3310.420162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3310.420162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3310.420162 (E_RNA) where: Base-Base interactions energy: -2315.390 where: short stacking energy: -972.755 Base-Backbone interact. energy: -2.959 local terms energy: -992.070745 where: bonds (distance) C4'-P energy: -167.801 bonds (distance) P-C4' energy: -187.201 flat angles C4'-P-C4' energy: -205.335 flat angles P-C4'-P energy: -149.960 tors. eta vs tors. theta energy: -281.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -3239.462862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.462862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.462862 (E_RNA) where: Base-Base interactions energy: -2231.766 where: short stacking energy: -936.609 Base-Backbone interact. energy: -2.892 local terms energy: -1004.804953 where: bonds (distance) C4'-P energy: -190.207 bonds (distance) P-C4' energy: -188.403 flat angles C4'-P-C4' energy: -212.264 flat angles P-C4'-P energy: -141.616 tors. eta vs tors. theta energy: -272.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -2987.855398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2987.855398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2987.855398 (E_RNA) where: Base-Base interactions energy: -2064.578 where: short stacking energy: -893.853 Base-Backbone interact. energy: -3.427 local terms energy: -919.850286 where: bonds (distance) C4'-P energy: -164.269 bonds (distance) P-C4' energy: -166.266 flat angles C4'-P-C4' energy: -201.215 flat angles P-C4'-P energy: -128.565 tors. eta vs tors. theta energy: -259.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -2895.114026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2895.114026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2895.114026 (E_RNA) where: Base-Base interactions energy: -1995.540 where: short stacking energy: -860.212 Base-Backbone interact. energy: -4.901 local terms energy: -894.673358 where: bonds (distance) C4'-P energy: -164.375 bonds (distance) P-C4' energy: -169.316 flat angles C4'-P-C4' energy: -188.137 flat angles P-C4'-P energy: -120.115 tors. eta vs tors. theta energy: -252.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -2743.851900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.851900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.851900 (E_RNA) where: Base-Base interactions energy: -1893.279 where: short stacking energy: -776.586 Base-Backbone interact. energy: -6.579 local terms energy: -843.993928 where: bonds (distance) C4'-P energy: -164.354 bonds (distance) P-C4' energy: -165.389 flat angles C4'-P-C4' energy: -183.456 flat angles P-C4'-P energy: -114.374 tors. eta vs tors. theta energy: -216.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -2605.679361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2605.679361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2605.679361 (E_RNA) where: Base-Base interactions energy: -1795.689 where: short stacking energy: -782.223 Base-Backbone interact. energy: -2.462 local terms energy: -807.528409 where: bonds (distance) C4'-P energy: -178.004 bonds (distance) P-C4' energy: -137.949 flat angles C4'-P-C4' energy: -183.618 flat angles P-C4'-P energy: -97.499 tors. eta vs tors. theta energy: -210.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -2430.900747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2430.900747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2430.900747 (E_RNA) where: Base-Base interactions energy: -1660.619 where: short stacking energy: -699.154 Base-Backbone interact. energy: -2.245 local terms energy: -768.036974 where: bonds (distance) C4'-P energy: -129.192 bonds (distance) P-C4' energy: -165.641 flat angles C4'-P-C4' energy: -180.332 flat angles P-C4'-P energy: -111.299 tors. eta vs tors. theta energy: -181.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -2085.726274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2085.726274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2085.726274 (E_RNA) where: Base-Base interactions energy: -1418.502 where: short stacking energy: -619.370 Base-Backbone interact. energy: -3.796 local terms energy: -663.428459 where: bonds (distance) C4'-P energy: -153.144 bonds (distance) P-C4' energy: -129.495 flat angles C4'-P-C4' energy: -158.310 flat angles P-C4'-P energy: -81.738 tors. eta vs tors. theta energy: -140.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -1770.731514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.731514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.731514 (E_RNA) where: Base-Base interactions energy: -1157.102 where: short stacking energy: -512.191 Base-Backbone interact. energy: 3.328 local terms energy: -616.958359 where: bonds (distance) C4'-P energy: -154.573 bonds (distance) P-C4' energy: -133.632 flat angles C4'-P-C4' energy: -147.693 flat angles P-C4'-P energy: -92.721 tors. eta vs tors. theta energy: -88.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -1071.845728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.845728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.845728 (E_RNA) where: Base-Base interactions energy: -598.023 where: short stacking energy: -295.151 Base-Backbone interact. energy: 2.825 local terms energy: -476.646883 where: bonds (distance) C4'-P energy: -124.113 bonds (distance) P-C4' energy: -144.716 flat angles C4'-P-C4' energy: -133.036 flat angles P-C4'-P energy: -79.418 tors. eta vs tors. theta energy: 4.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -3357.397764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3357.397764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3357.397764 (E_RNA) where: Base-Base interactions energy: -2319.656 where: short stacking energy: -976.901 Base-Backbone interact. energy: -1.350 local terms energy: -1036.391678 where: bonds (distance) C4'-P energy: -175.521 bonds (distance) P-C4' energy: -197.926 flat angles C4'-P-C4' energy: -217.033 flat angles P-C4'-P energy: -147.211 tors. eta vs tors. theta energy: -298.702 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: 2, replica: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -3255.154937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3255.154937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3255.154937 (E_RNA) where: Base-Base interactions energy: -2295.054 where: short stacking energy: -937.541 Base-Backbone interact. energy: -1.440 local terms energy: -958.661314 where: bonds (distance) C4'-P energy: -159.811 bonds (distance) P-C4' energy: -177.979 flat angles C4'-P-C4' energy: -210.621 flat angles P-C4'-P energy: -138.271 tors. eta vs tors. theta energy: -271.979 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: 1 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -3025.639496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3025.639496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3025.639496 (E_RNA) where: Base-Base interactions energy: -2131.655 where: short stacking energy: -925.540 Base-Backbone interact. energy: -6.651 local terms energy: -887.333587 where: bonds (distance) C4'-P energy: -139.770 bonds (distance) P-C4' energy: -152.836 flat angles C4'-P-C4' energy: -188.749 flat angles P-C4'-P energy: -141.588 tors. eta vs tors. theta energy: -264.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -2871.373241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2871.373241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2871.373241 (E_RNA) where: Base-Base interactions energy: -2018.927 where: short stacking energy: -844.167 Base-Backbone interact. energy: -1.066 local terms energy: -851.380923 where: bonds (distance) C4'-P energy: -166.263 bonds (distance) P-C4' energy: -135.905 flat angles C4'-P-C4' energy: -181.847 flat angles P-C4'-P energy: -121.310 tors. eta vs tors. theta energy: -246.057 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: 454 Temperature: 1.100000 Total energy: -2799.512333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2799.512333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2799.512333 (E_RNA) where: Base-Base interactions energy: -1952.073 where: short stacking energy: -813.756 Base-Backbone interact. energy: -2.439 local terms energy: -845.000686 where: bonds (distance) C4'-P energy: -163.003 bonds (distance) P-C4' energy: -166.166 flat angles C4'-P-C4' energy: -180.868 flat angles P-C4'-P energy: -103.196 tors. eta vs tors. theta energy: -231.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -2625.026699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2625.026699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2625.026699 (E_RNA) where: Base-Base interactions energy: -1808.977 where: short stacking energy: -809.133 Base-Backbone interact. energy: 6.935 local terms energy: -822.984056 where: bonds (distance) C4'-P energy: -147.126 bonds (distance) P-C4' energy: -154.631 flat angles C4'-P-C4' energy: -178.232 flat angles P-C4'-P energy: -122.351 tors. eta vs tors. theta energy: -220.645 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: 7, replica: 7 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -2411.808261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2411.808261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2411.808261 (E_RNA) where: Base-Base interactions energy: -1667.793 where: short stacking energy: -705.422 Base-Backbone interact. energy: -1.053 local terms energy: -742.962423 where: bonds (distance) C4'-P energy: -142.267 bonds (distance) P-C4' energy: -135.458 flat angles C4'-P-C4' energy: -184.724 flat angles P-C4'-P energy: -96.260 tors. eta vs tors. theta energy: -184.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -2044.345538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2044.345538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2044.345538 (E_RNA) where: Base-Base interactions energy: -1350.729 where: short stacking energy: -592.578 Base-Backbone interact. energy: 1.390 local terms energy: -695.006196 where: bonds (distance) C4'-P energy: -138.503 bonds (distance) P-C4' energy: -155.397 flat angles C4'-P-C4' energy: -152.728 flat angles P-C4'-P energy: -101.599 tors. eta vs tors. theta energy: -146.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -1746.840690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.840690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.840690 (E_RNA) where: Base-Base interactions energy: -1108.325 where: short stacking energy: -501.345 Base-Backbone interact. energy: -3.731 local terms energy: -634.784264 where: bonds (distance) C4'-P energy: -140.761 bonds (distance) P-C4' energy: -138.947 flat angles C4'-P-C4' energy: -153.514 flat angles P-C4'-P energy: -110.332 tors. eta vs tors. theta energy: -91.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -1083.083455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.083455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.083455 (E_RNA) where: Base-Base interactions energy: -587.070 where: short stacking energy: -298.961 Base-Backbone interact. energy: 5.178 local terms energy: -501.191167 where: bonds (distance) C4'-P energy: -141.165 bonds (distance) P-C4' energy: -142.396 flat angles C4'-P-C4' energy: -152.589 flat angles P-C4'-P energy: -66.260 tors. eta vs tors. theta energy: 1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -3319.056409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3319.056409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3319.056409 (E_RNA) where: Base-Base interactions energy: -2327.802 where: short stacking energy: -989.233 Base-Backbone interact. energy: -4.007 local terms energy: -987.246945 where: bonds (distance) C4'-P energy: -178.766 bonds (distance) P-C4' energy: -177.925 flat angles C4'-P-C4' energy: -199.444 flat angles P-C4'-P energy: -142.891 tors. eta vs tors. theta energy: -288.220 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: 2 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -3220.307746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3220.307746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3220.307746 (E_RNA) where: Base-Base interactions energy: -2248.103 where: short stacking energy: -938.385 Base-Backbone interact. energy: -4.181 local terms energy: -968.023865 where: bonds (distance) C4'-P energy: -161.601 bonds (distance) P-C4' energy: -184.900 flat angles C4'-P-C4' energy: -201.504 flat angles P-C4'-P energy: -148.508 tors. eta vs tors. theta energy: -271.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -3052.306118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3052.306118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3052.306118 (E_RNA) where: Base-Base interactions energy: -2117.908 where: short stacking energy: -933.010 Base-Backbone interact. energy: -3.452 local terms energy: -930.945961 where: bonds (distance) C4'-P energy: -156.766 bonds (distance) P-C4' energy: -164.541 flat angles C4'-P-C4' energy: -200.286 flat angles P-C4'-P energy: -139.685 tors. eta vs tors. theta energy: -269.668 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: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -2811.285716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2811.285716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2811.285716 (E_RNA) where: Base-Base interactions energy: -1974.772 where: short stacking energy: -845.978 Base-Backbone interact. energy: -4.296 local terms energy: -832.216799 where: bonds (distance) C4'-P energy: -157.532 bonds (distance) P-C4' energy: -150.160 flat angles C4'-P-C4' energy: -188.829 flat angles P-C4'-P energy: -106.576 tors. eta vs tors. theta energy: -229.120 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: 4 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -2808.352878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2808.352878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2808.352878 (E_RNA) where: Base-Base interactions energy: -1954.733 where: short stacking energy: -811.340 Base-Backbone interact. energy: -2.518 local terms energy: -851.101806 where: bonds (distance) C4'-P energy: -157.479 bonds (distance) P-C4' energy: -171.834 flat angles C4'-P-C4' energy: -180.124 flat angles P-C4'-P energy: -117.288 tors. eta vs tors. theta energy: -224.377 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: 6, replica: 3 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -2594.825424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2594.825424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2594.825424 (E_RNA) where: Base-Base interactions energy: -1811.775 where: short stacking energy: -764.004 Base-Backbone interact. energy: 1.183 local terms energy: -784.234035 where: bonds (distance) C4'-P energy: -145.966 bonds (distance) P-C4' energy: -159.755 flat angles C4'-P-C4' energy: -154.367 flat angles P-C4'-P energy: -117.282 tors. eta vs tors. theta energy: -206.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -2433.501912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2433.501912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2433.501912 (E_RNA) where: Base-Base interactions energy: -1701.271 where: short stacking energy: -710.605 Base-Backbone interact. energy: -0.952 local terms energy: -731.278784 where: bonds (distance) C4'-P energy: -150.292 bonds (distance) P-C4' energy: -147.152 flat angles C4'-P-C4' energy: -156.558 flat angles P-C4'-P energy: -107.992 tors. eta vs tors. theta energy: -169.286 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: 9 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -2032.102676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2032.102676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2032.102676 (E_RNA) where: Base-Base interactions energy: -1371.210 where: short stacking energy: -610.146 Base-Backbone interact. energy: -2.658 local terms energy: -658.234394 where: bonds (distance) C4'-P energy: -134.740 bonds (distance) P-C4' energy: -144.843 flat angles C4'-P-C4' energy: -157.604 flat angles P-C4'-P energy: -86.275 tors. eta vs tors. theta energy: -134.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -1737.178618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.178618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.178618 (E_RNA) where: Base-Base interactions energy: -1101.193 where: short stacking energy: -525.098 Base-Backbone interact. energy: 1.715 local terms energy: -637.700709 where: bonds (distance) C4'-P energy: -134.856 bonds (distance) P-C4' energy: -136.521 flat angles C4'-P-C4' energy: -144.040 flat angles P-C4'-P energy: -111.880 tors. eta vs tors. theta energy: -110.405 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: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -1043.119120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.119120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.119120 (E_RNA) where: Base-Base interactions energy: -565.882 where: short stacking energy: -305.495 Base-Backbone interact. energy: 3.457 local terms energy: -480.693912 where: bonds (distance) C4'-P energy: -137.494 bonds (distance) P-C4' energy: -140.439 flat angles C4'-P-C4' energy: -141.221 flat angles P-C4'-P energy: -61.314 tors. eta vs tors. theta energy: -0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -3347.753350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3347.753350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3347.753350 (E_RNA) where: Base-Base interactions energy: -2362.146 where: short stacking energy: -984.848 Base-Backbone interact. energy: -4.581 local terms energy: -981.026050 where: bonds (distance) C4'-P energy: -170.698 bonds (distance) P-C4' energy: -166.871 flat angles C4'-P-C4' energy: -202.318 flat angles P-C4'-P energy: -151.045 tors. eta vs tors. theta energy: -290.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -3204.589007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3204.589007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3204.589007 (E_RNA) where: Base-Base interactions energy: -2265.344 where: short stacking energy: -948.059 Base-Backbone interact. energy: -3.640 local terms energy: -935.604721 where: bonds (distance) C4'-P energy: -182.087 bonds (distance) P-C4' energy: -165.737 flat angles C4'-P-C4' energy: -199.580 flat angles P-C4'-P energy: -125.297 tors. eta vs tors. theta energy: -262.903 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: 1 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -3034.506981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.506981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.506981 (E_RNA) where: Base-Base interactions energy: -2106.567 where: short stacking energy: -897.349 Base-Backbone interact. energy: -0.825 local terms energy: -927.115530 where: bonds (distance) C4'-P energy: -166.718 bonds (distance) P-C4' energy: -168.954 flat angles C4'-P-C4' energy: -192.893 flat angles P-C4'-P energy: -132.865 tors. eta vs tors. theta energy: -265.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -2876.222318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2876.222318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2876.222318 (E_RNA) where: Base-Base interactions energy: -2010.997 where: short stacking energy: -824.976 Base-Backbone interact. energy: -5.372 local terms energy: -859.852913 where: bonds (distance) C4'-P energy: -161.526 bonds (distance) P-C4' energy: -146.555 flat angles C4'-P-C4' energy: -189.878 flat angles P-C4'-P energy: -135.984 tors. eta vs tors. theta energy: -225.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -2804.949989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2804.949989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2804.949989 (E_RNA) where: Base-Base interactions energy: -1939.453 where: short stacking energy: -785.956 Base-Backbone interact. energy: 1.720 local terms energy: -867.217276 where: bonds (distance) C4'-P energy: -162.892 bonds (distance) P-C4' energy: -163.907 flat angles C4'-P-C4' energy: -195.963 flat angles P-C4'-P energy: -116.042 tors. eta vs tors. theta energy: -228.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -2660.986664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2660.986664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2660.986664 (E_RNA) where: Base-Base interactions energy: -1867.123 where: short stacking energy: -818.844 Base-Backbone interact. energy: -1.628 local terms energy: -792.235434 where: bonds (distance) C4'-P energy: -148.256 bonds (distance) P-C4' energy: -132.523 flat angles C4'-P-C4' energy: -182.729 flat angles P-C4'-P energy: -106.929 tors. eta vs tors. theta energy: -221.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -2389.794417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2389.794417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2389.794417 (E_RNA) where: Base-Base interactions energy: -1653.385 where: short stacking energy: -692.200 Base-Backbone interact. energy: -3.725 local terms energy: -732.684348 where: bonds (distance) C4'-P energy: -153.511 bonds (distance) P-C4' energy: -137.436 flat angles C4'-P-C4' energy: -161.217 flat angles P-C4'-P energy: -96.142 tors. eta vs tors. theta energy: -184.379 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: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -2063.215691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2063.215691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2063.215691 (E_RNA) where: Base-Base interactions energy: -1389.861 where: short stacking energy: -589.348 Base-Backbone interact. energy: 0.651 local terms energy: -674.005417 where: bonds (distance) C4'-P energy: -117.914 bonds (distance) P-C4' energy: -163.586 flat angles C4'-P-C4' energy: -149.044 flat angles P-C4'-P energy: -96.645 tors. eta vs tors. theta energy: -146.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -1700.878171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.878171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.878171 (E_RNA) where: Base-Base interactions energy: -1093.378 where: short stacking energy: -495.337 Base-Backbone interact. energy: -3.299 local terms energy: -604.200826 where: bonds (distance) C4'-P energy: -135.786 bonds (distance) P-C4' energy: -133.732 flat angles C4'-P-C4' energy: -145.014 flat angles P-C4'-P energy: -87.960 tors. eta vs tors. theta energy: -101.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -1058.480105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.480105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.480105 (E_RNA) where: Base-Base interactions energy: -592.316 where: short stacking energy: -307.484 Base-Backbone interact. energy: 14.498 local terms energy: -480.661788 where: bonds (distance) C4'-P energy: -121.714 bonds (distance) P-C4' energy: -142.195 flat angles C4'-P-C4' energy: -132.083 flat angles P-C4'-P energy: -79.422 tors. eta vs tors. theta energy: -5.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -3312.290118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3312.290118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3312.290118 (E_RNA) where: Base-Base interactions energy: -2326.584 where: short stacking energy: -956.591 Base-Backbone interact. energy: -2.350 local terms energy: -983.356484 where: bonds (distance) C4'-P energy: -187.369 bonds (distance) P-C4' energy: -182.388 flat angles C4'-P-C4' energy: -214.191 flat angles P-C4'-P energy: -127.750 tors. eta vs tors. theta energy: -271.659 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: 2, replica: 2 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -3252.091675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3252.091675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3252.091675 (E_RNA) where: Base-Base interactions energy: -2271.384 where: short stacking energy: -952.724 Base-Backbone interact. energy: -4.410 local terms energy: -976.297556 where: bonds (distance) C4'-P energy: -168.845 bonds (distance) P-C4' energy: -184.788 flat angles C4'-P-C4' energy: -203.590 flat angles P-C4'-P energy: -152.399 tors. eta vs tors. theta energy: -266.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -3079.318961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.318961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.318961 (E_RNA) where: Base-Base interactions energy: -2124.986 where: short stacking energy: -940.751 Base-Backbone interact. energy: -3.757 local terms energy: -950.575917 where: bonds (distance) C4'-P energy: -166.096 bonds (distance) P-C4' energy: -168.098 flat angles C4'-P-C4' energy: -208.805 flat angles P-C4'-P energy: -134.703 tors. eta vs tors. theta energy: -272.875 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: 4, replica: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -2881.260175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2881.260175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2881.260175 (E_RNA) where: Base-Base interactions energy: -1991.116 where: short stacking energy: -836.334 Base-Backbone interact. energy: -4.597 local terms energy: -885.547679 where: bonds (distance) C4'-P energy: -163.998 bonds (distance) P-C4' energy: -177.402 flat angles C4'-P-C4' energy: -194.855 flat angles P-C4'-P energy: -108.440 tors. eta vs tors. theta energy: -240.852 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: 4 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -2780.557611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.557611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.557611 (E_RNA) where: Base-Base interactions energy: -1956.048 where: short stacking energy: -811.747 Base-Backbone interact. energy: 4.081 local terms energy: -828.590553 where: bonds (distance) C4'-P energy: -140.348 bonds (distance) P-C4' energy: -165.266 flat angles C4'-P-C4' energy: -185.018 flat angles P-C4'-P energy: -112.330 tors. eta vs tors. theta energy: -225.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -2674.677143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2674.677143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2674.677143 (E_RNA) where: Base-Base interactions energy: -1831.878 where: short stacking energy: -801.831 Base-Backbone interact. energy: -1.509 local terms energy: -841.290751 where: bonds (distance) C4'-P energy: -151.576 bonds (distance) P-C4' energy: -159.615 flat angles C4'-P-C4' energy: -187.536 flat angles P-C4'-P energy: -123.766 tors. eta vs tors. theta energy: -218.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -2364.601593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2364.601593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2364.601593 (E_RNA) where: Base-Base interactions energy: -1640.612 where: short stacking energy: -666.550 Base-Backbone interact. energy: -1.950 local terms energy: -722.039785 where: bonds (distance) C4'-P energy: -145.010 bonds (distance) P-C4' energy: -147.017 flat angles C4'-P-C4' energy: -155.377 flat angles P-C4'-P energy: -111.278 tors. eta vs tors. theta energy: -163.357 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: 8, replica: 9 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -2109.255940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2109.255940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2109.255940 (E_RNA) where: Base-Base interactions energy: -1377.010 where: short stacking energy: -583.857 Base-Backbone interact. energy: 3.551 local terms energy: -735.797199 where: bonds (distance) C4'-P energy: -157.717 bonds (distance) P-C4' energy: -162.669 flat angles C4'-P-C4' energy: -175.870 flat angles P-C4'-P energy: -109.392 tors. eta vs tors. theta energy: -130.148 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: 5 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -1681.501463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.501463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.501463 (E_RNA) where: Base-Base interactions energy: -1059.346 where: short stacking energy: -464.596 Base-Backbone interact. energy: 4.155 local terms energy: -626.310385 where: bonds (distance) C4'-P energy: -132.948 bonds (distance) P-C4' energy: -171.784 flat angles C4'-P-C4' energy: -152.589 flat angles P-C4'-P energy: -85.334 tors. eta vs tors. theta energy: -83.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -1038.272372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.272372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.272372 (E_RNA) where: Base-Base interactions energy: -596.272 where: short stacking energy: -315.570 Base-Backbone interact. energy: 2.437 local terms energy: -444.437465 where: bonds (distance) C4'-P energy: -117.773 bonds (distance) P-C4' energy: -130.658 flat angles C4'-P-C4' energy: -119.241 flat angles P-C4'-P energy: -76.996 tors. eta vs tors. theta energy: 0.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -3330.492154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3330.492154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3330.492154 (E_RNA) where: Base-Base interactions energy: -2341.504 where: short stacking energy: -966.804 Base-Backbone interact. energy: -4.115 local terms energy: -984.873013 where: bonds (distance) C4'-P energy: -182.378 bonds (distance) P-C4' energy: -182.863 flat angles C4'-P-C4' energy: -205.918 flat angles P-C4'-P energy: -140.659 tors. eta vs tors. theta energy: -273.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -3247.084492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3247.084492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3247.084492 (E_RNA) where: Base-Base interactions energy: -2308.261 where: short stacking energy: -962.781 Base-Backbone interact. energy: -2.715 local terms energy: -936.108837 where: bonds (distance) C4'-P energy: -157.338 bonds (distance) P-C4' energy: -180.909 flat angles C4'-P-C4' energy: -191.424 flat angles P-C4'-P energy: -126.870 tors. eta vs tors. theta energy: -279.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -3022.328221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3022.328221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3022.328221 (E_RNA) where: Base-Base interactions energy: -2073.422 where: short stacking energy: -899.961 Base-Backbone interact. energy: -5.381 local terms energy: -943.525605 where: bonds (distance) C4'-P energy: -177.824 bonds (distance) P-C4' energy: -176.934 flat angles C4'-P-C4' energy: -195.790 flat angles P-C4'-P energy: -124.671 tors. eta vs tors. theta energy: -268.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -2854.421925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2854.421925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2854.421925 (E_RNA) where: Base-Base interactions energy: -1979.930 where: short stacking energy: -851.747 Base-Backbone interact. energy: -6.731 local terms energy: -867.760857 where: bonds (distance) C4'-P energy: -141.649 bonds (distance) P-C4' energy: -157.298 flat angles C4'-P-C4' energy: -199.132 flat angles P-C4'-P energy: -123.078 tors. eta vs tors. theta energy: -246.604 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: 4 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -2781.647199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2781.647199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2781.647199 (E_RNA) where: Base-Base interactions energy: -1935.581 where: short stacking energy: -804.177 Base-Backbone interact. energy: -4.804 local terms energy: -841.261939 where: bonds (distance) C4'-P energy: -145.408 bonds (distance) P-C4' energy: -153.183 flat angles C4'-P-C4' energy: -192.465 flat angles P-C4'-P energy: -112.688 tors. eta vs tors. theta energy: -237.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -2670.662830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2670.662830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2670.662830 (E_RNA) where: Base-Base interactions energy: -1878.557 where: short stacking energy: -791.275 Base-Backbone interact. energy: -2.764 local terms energy: -789.341682 where: bonds (distance) C4'-P energy: -141.013 bonds (distance) P-C4' energy: -150.960 flat angles C4'-P-C4' energy: -175.084 flat angles P-C4'-P energy: -112.452 tors. eta vs tors. theta energy: -209.832 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: 7 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -2443.533348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2443.533348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2443.533348 (E_RNA) where: Base-Base interactions energy: -1719.285 where: short stacking energy: -727.739 Base-Backbone interact. energy: -0.999 local terms energy: -723.249277 where: bonds (distance) C4'-P energy: -143.385 bonds (distance) P-C4' energy: -145.957 flat angles C4'-P-C4' energy: -152.334 flat angles P-C4'-P energy: -100.269 tors. eta vs tors. theta energy: -181.304 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: 9 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -2099.874843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2099.874843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2099.874843 (E_RNA) where: Base-Base interactions energy: -1417.448 where: short stacking energy: -571.396 Base-Backbone interact. energy: -4.816 local terms energy: -677.610542 where: bonds (distance) C4'-P energy: -137.041 bonds (distance) P-C4' energy: -124.434 flat angles C4'-P-C4' energy: -172.755 flat angles P-C4'-P energy: -96.212 tors. eta vs tors. theta energy: -147.169 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: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -1661.797219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.797219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.797219 (E_RNA) where: Base-Base interactions energy: -1067.619 where: short stacking energy: -481.130 Base-Backbone interact. energy: -3.069 local terms energy: -591.108990 where: bonds (distance) C4'-P energy: -130.519 bonds (distance) P-C4' energy: -132.530 flat angles C4'-P-C4' energy: -144.444 flat angles P-C4'-P energy: -91.402 tors. eta vs tors. theta energy: -92.214 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: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -1073.941654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.941654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.941654 (E_RNA) where: Base-Base interactions energy: -578.103 where: short stacking energy: -316.155 Base-Backbone interact. energy: -0.208 local terms energy: -495.630483 where: bonds (distance) C4'-P energy: -154.343 bonds (distance) P-C4' energy: -140.835 flat angles C4'-P-C4' energy: -141.469 flat angles P-C4'-P energy: -57.893 tors. eta vs tors. theta energy: -1.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -3345.289399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3345.289399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3345.289399 (E_RNA) where: Base-Base interactions energy: -2386.873 where: short stacking energy: -997.828 Base-Backbone interact. energy: -0.925 local terms energy: -957.491422 where: bonds (distance) C4'-P energy: -178.318 bonds (distance) P-C4' energy: -165.986 flat angles C4'-P-C4' energy: -198.079 flat angles P-C4'-P energy: -137.023 tors. eta vs tors. theta energy: -278.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -3249.167425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3249.167425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3249.167425 (E_RNA) where: Base-Base interactions energy: -2296.960 where: short stacking energy: -925.253 Base-Backbone interact. energy: -4.236 local terms energy: -947.971408 where: bonds (distance) C4'-P energy: -190.137 bonds (distance) P-C4' energy: -168.828 flat angles C4'-P-C4' energy: -193.569 flat angles P-C4'-P energy: -138.573 tors. eta vs tors. theta energy: -256.864 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: 1 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -3056.346198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.346198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.346198 (E_RNA) where: Base-Base interactions energy: -2106.189 where: short stacking energy: -895.933 Base-Backbone interact. energy: -3.225 local terms energy: -946.931838 where: bonds (distance) C4'-P energy: -175.567 bonds (distance) P-C4' energy: -176.234 flat angles C4'-P-C4' energy: -200.920 flat angles P-C4'-P energy: -137.799 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: 4, replica: 8 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -2864.678433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2864.678433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2864.678433 (E_RNA) where: Base-Base interactions energy: -1990.731 where: short stacking energy: -823.909 Base-Backbone interact. energy: -2.627 local terms energy: -871.320317 where: bonds (distance) C4'-P energy: -178.722 bonds (distance) P-C4' energy: -147.185 flat angles C4'-P-C4' energy: -193.883 flat angles P-C4'-P energy: -115.838 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: 5, replica: 4 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -2807.891225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.891225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.891225 (E_RNA) where: Base-Base interactions energy: -1941.212 where: short stacking energy: -807.328 Base-Backbone interact. energy: 3.311 local terms energy: -869.990212 where: bonds (distance) C4'-P energy: -160.018 bonds (distance) P-C4' energy: -173.641 flat angles C4'-P-C4' energy: -184.237 flat angles P-C4'-P energy: -131.676 tors. eta vs tors. theta energy: -220.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -2667.243977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.243977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.243977 (E_RNA) where: Base-Base interactions energy: -1848.752 where: short stacking energy: -807.209 Base-Backbone interact. energy: -3.790 local terms energy: -814.702415 where: bonds (distance) C4'-P energy: -152.003 bonds (distance) P-C4' energy: -144.104 flat angles C4'-P-C4' energy: -193.410 flat angles P-C4'-P energy: -119.181 tors. eta vs tors. theta energy: -206.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -2365.195135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2365.195135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2365.195135 (E_RNA) where: Base-Base interactions energy: -1625.407 where: short stacking energy: -698.610 Base-Backbone interact. energy: -3.170 local terms energy: -736.618775 where: bonds (distance) C4'-P energy: -154.964 bonds (distance) P-C4' energy: -157.288 flat angles C4'-P-C4' energy: -168.966 flat angles P-C4'-P energy: -102.745 tors. eta vs tors. theta energy: -152.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -2182.829750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2182.829750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2182.829750 (E_RNA) where: Base-Base interactions energy: -1515.741 where: short stacking energy: -638.994 Base-Backbone interact. energy: 1.360 local terms energy: -668.448375 where: bonds (distance) C4'-P energy: -141.732 bonds (distance) P-C4' energy: -154.108 flat angles C4'-P-C4' energy: -149.592 flat angles P-C4'-P energy: -67.400 tors. eta vs tors. theta energy: -155.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -1694.948462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.948462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.948462 (E_RNA) where: Base-Base interactions energy: -1047.581 where: short stacking energy: -477.569 Base-Backbone interact. energy: -0.351 local terms energy: -647.016214 where: bonds (distance) C4'-P energy: -129.964 bonds (distance) P-C4' energy: -159.617 flat angles C4'-P-C4' energy: -159.517 flat angles P-C4'-P energy: -103.654 tors. eta vs tors. theta energy: -94.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -1133.425504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.425504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.425504 (E_RNA) where: Base-Base interactions energy: -600.233 where: short stacking energy: -308.351 Base-Backbone interact. energy: -0.852 local terms energy: -532.341050 where: bonds (distance) C4'-P energy: -142.947 bonds (distance) P-C4' energy: -134.135 flat angles C4'-P-C4' energy: -150.127 flat angles P-C4'-P energy: -90.083 tors. eta vs tors. theta energy: -15.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -3325.101116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3325.101116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3325.101116 (E_RNA) where: Base-Base interactions energy: -2328.836 where: short stacking energy: -945.009 Base-Backbone interact. energy: -0.430 local terms energy: -995.836007 where: bonds (distance) C4'-P energy: -184.350 bonds (distance) P-C4' energy: -178.947 flat angles C4'-P-C4' energy: -212.475 flat angles P-C4'-P energy: -144.513 tors. eta vs tors. theta energy: -275.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -3239.468541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3239.468541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3239.468541 (E_RNA) where: Base-Base interactions energy: -2274.163 where: short stacking energy: -949.578 Base-Backbone interact. energy: -0.042 local terms energy: -965.263172 where: bonds (distance) C4'-P energy: -186.455 bonds (distance) P-C4' energy: -172.074 flat angles C4'-P-C4' energy: -194.458 flat angles P-C4'-P energy: -138.858 tors. eta vs tors. theta energy: -273.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -3063.514366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.514366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.514366 (E_RNA) where: Base-Base interactions energy: -2112.803 where: short stacking energy: -938.179 Base-Backbone interact. energy: 1.768 local terms energy: -952.479547 where: bonds (distance) C4'-P energy: -175.917 bonds (distance) P-C4' energy: -174.957 flat angles C4'-P-C4' energy: -195.831 flat angles P-C4'-P energy: -142.635 tors. eta vs tors. theta energy: -263.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -2901.952432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2901.952432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2901.952432 (E_RNA) where: Base-Base interactions energy: -2006.046 where: short stacking energy: -831.458 Base-Backbone interact. energy: -1.634 local terms energy: -894.272625 where: bonds (distance) C4'-P energy: -154.120 bonds (distance) P-C4' energy: -164.915 flat angles C4'-P-C4' energy: -199.125 flat angles P-C4'-P energy: -136.480 tors. eta vs tors. theta energy: -239.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -2751.581447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2751.581447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2751.581447 (E_RNA) where: Base-Base interactions energy: -1922.944 where: short stacking energy: -804.271 Base-Backbone interact. energy: 0.174 local terms energy: -828.811445 where: bonds (distance) C4'-P energy: -163.705 bonds (distance) P-C4' energy: -154.614 flat angles C4'-P-C4' energy: -179.789 flat angles P-C4'-P energy: -118.218 tors. eta vs tors. theta energy: -212.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -2643.067296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.067296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.067296 (E_RNA) where: Base-Base interactions energy: -1853.073 where: short stacking energy: -794.551 Base-Backbone interact. energy: 3.696 local terms energy: -793.690673 where: bonds (distance) C4'-P energy: -139.281 bonds (distance) P-C4' energy: -149.159 flat angles C4'-P-C4' energy: -175.956 flat angles P-C4'-P energy: -112.036 tors. eta vs tors. theta energy: -217.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -2383.178456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2383.178456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2383.178456 (E_RNA) where: Base-Base interactions energy: -1659.582 where: short stacking energy: -706.566 Base-Backbone interact. energy: -1.916 local terms energy: -721.680337 where: bonds (distance) C4'-P energy: -127.022 bonds (distance) P-C4' energy: -149.397 flat angles C4'-P-C4' energy: -170.631 flat angles P-C4'-P energy: -93.657 tors. eta vs tors. theta energy: -180.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1997.433869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1997.433869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1997.433869 (E_RNA) where: Base-Base interactions energy: -1320.087 where: short stacking energy: -595.618 Base-Backbone interact. energy: 0.623 local terms energy: -677.969755 where: bonds (distance) C4'-P energy: -153.015 bonds (distance) P-C4' energy: -145.388 flat angles C4'-P-C4' energy: -163.653 flat angles P-C4'-P energy: -81.834 tors. eta vs tors. theta energy: -134.080 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: 9, replica: 5 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -1664.227551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.227551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.227551 (E_RNA) where: Base-Base interactions energy: -1081.438 where: short stacking energy: -500.522 Base-Backbone interact. energy: 7.279 local terms energy: -590.068167 where: bonds (distance) C4'-P energy: -137.451 bonds (distance) P-C4' energy: -137.340 flat angles C4'-P-C4' energy: -145.449 flat angles P-C4'-P energy: -72.600 tors. eta vs tors. theta energy: -97.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -1118.172313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.172313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.172313 (E_RNA) where: Base-Base interactions energy: -624.676 where: short stacking energy: -321.739 Base-Backbone interact. energy: 6.588 local terms energy: -500.084825 where: bonds (distance) C4'-P energy: -137.176 bonds (distance) P-C4' energy: -147.794 flat angles C4'-P-C4' energy: -109.070 flat angles P-C4'-P energy: -74.058 tors. eta vs tors. theta energy: -31.987 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: 1, replica: 6 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -3323.332018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3323.332018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3323.332018 (E_RNA) where: Base-Base interactions energy: -2333.522 where: short stacking energy: -966.872 Base-Backbone interact. energy: -2.369 local terms energy: -987.440517 where: bonds (distance) C4'-P energy: -171.072 bonds (distance) P-C4' energy: -193.722 flat angles C4'-P-C4' energy: -203.079 flat angles P-C4'-P energy: -144.128 tors. eta vs tors. theta energy: -275.440 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: 2, replica: 2 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -3265.918087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3265.918087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3265.918087 (E_RNA) where: Base-Base interactions energy: -2318.052 where: short stacking energy: -950.906 Base-Backbone interact. energy: 1.172 local terms energy: -949.037532 where: bonds (distance) C4'-P energy: -176.105 bonds (distance) P-C4' energy: -168.048 flat angles C4'-P-C4' energy: -199.909 flat angles P-C4'-P energy: -129.641 tors. eta vs tors. theta energy: -275.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -3045.729328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3045.729328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3045.729328 (E_RNA) where: Base-Base interactions energy: -2120.330 where: short stacking energy: -937.728 Base-Backbone interact. energy: -0.014 local terms energy: -925.385915 where: bonds (distance) C4'-P energy: -169.378 bonds (distance) P-C4' energy: -162.795 flat angles C4'-P-C4' energy: -210.986 flat angles P-C4'-P energy: -115.110 tors. eta vs tors. theta energy: -267.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -2899.029363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2899.029363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2899.029363 (E_RNA) where: Base-Base interactions energy: -2030.155 where: short stacking energy: -855.093 Base-Backbone interact. energy: -2.496 local terms energy: -866.379200 where: bonds (distance) C4'-P energy: -154.058 bonds (distance) P-C4' energy: -143.841 flat angles C4'-P-C4' energy: -194.751 flat angles P-C4'-P energy: -122.937 tors. eta vs tors. theta energy: -250.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -2775.380733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.380733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.380733 (E_RNA) where: Base-Base interactions energy: -1923.416 where: short stacking energy: -790.306 Base-Backbone interact. energy: 0.420 local terms energy: -852.385272 where: bonds (distance) C4'-P energy: -152.651 bonds (distance) P-C4' energy: -146.153 flat angles C4'-P-C4' energy: -193.402 flat angles P-C4'-P energy: -138.624 tors. eta vs tors. theta energy: -221.556 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: 6, replica: 3 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -2624.061962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2624.061962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2624.061962 (E_RNA) where: Base-Base interactions energy: -1804.226 where: short stacking energy: -778.299 Base-Backbone interact. energy: -2.523 local terms energy: -817.312987 where: bonds (distance) C4'-P energy: -144.535 bonds (distance) P-C4' energy: -150.647 flat angles C4'-P-C4' energy: -189.512 flat angles P-C4'-P energy: -114.610 tors. eta vs tors. theta energy: -218.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -2425.604944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.604944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.604944 (E_RNA) where: Base-Base interactions energy: -1636.945 where: short stacking energy: -703.410 Base-Backbone interact. energy: 4.548 local terms energy: -793.207240 where: bonds (distance) C4'-P energy: -151.064 bonds (distance) P-C4' energy: -138.408 flat angles C4'-P-C4' energy: -189.647 flat angles P-C4'-P energy: -121.541 tors. eta vs tors. theta energy: -192.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -2136.451892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2136.451892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2136.451892 (E_RNA) where: Base-Base interactions energy: -1450.421 where: short stacking energy: -636.433 Base-Backbone interact. energy: -3.958 local terms energy: -682.073315 where: bonds (distance) C4'-P energy: -140.037 bonds (distance) P-C4' energy: -136.555 flat angles C4'-P-C4' energy: -149.413 flat angles P-C4'-P energy: -115.504 tors. eta vs tors. theta energy: -140.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -1696.767549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.767549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.767549 (E_RNA) where: Base-Base interactions energy: -1077.323 where: short stacking energy: -465.768 Base-Backbone interact. energy: -1.033 local terms energy: -618.411387 where: bonds (distance) C4'-P energy: -145.127 bonds (distance) P-C4' energy: -172.574 flat angles C4'-P-C4' energy: -141.035 flat angles P-C4'-P energy: -89.347 tors. eta vs tors. theta energy: -70.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -1084.924177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.924177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.924177 (E_RNA) where: Base-Base interactions energy: -618.357 where: short stacking energy: -339.124 Base-Backbone interact. energy: 5.306 local terms energy: -471.873359 where: bonds (distance) C4'-P energy: -129.187 bonds (distance) P-C4' energy: -141.684 flat angles C4'-P-C4' energy: -118.015 flat angles P-C4'-P energy: -61.549 tors. eta vs tors. theta energy: -21.439 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: 1, replica: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -3350.358779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3350.358779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3350.358779 (E_RNA) where: Base-Base interactions energy: -2353.296 where: short stacking energy: -965.112 Base-Backbone interact. energy: -4.421 local terms energy: -992.641565 where: bonds (distance) C4'-P energy: -182.289 bonds (distance) P-C4' energy: -190.038 flat angles C4'-P-C4' energy: -208.778 flat angles P-C4'-P energy: -140.272 tors. eta vs tors. theta energy: -271.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -3221.032184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.032184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.032184 (E_RNA) where: Base-Base interactions energy: -2250.992 where: short stacking energy: -957.429 Base-Backbone interact. energy: -3.719 local terms energy: -966.321340 where: bonds (distance) C4'-P energy: -172.371 bonds (distance) P-C4' energy: -183.854 flat angles C4'-P-C4' energy: -208.480 flat angles P-C4'-P energy: -129.082 tors. eta vs tors. theta energy: -272.536 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: 1 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -3056.442905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3056.442905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3056.442905 (E_RNA) where: Base-Base interactions energy: -2122.374 where: short stacking energy: -918.414 Base-Backbone interact. energy: -2.260 local terms energy: -931.809248 where: bonds (distance) C4'-P energy: -171.959 bonds (distance) P-C4' energy: -168.130 flat angles C4'-P-C4' energy: -194.111 flat angles P-C4'-P energy: -128.817 tors. eta vs tors. theta energy: -268.793 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: 8 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -2907.239790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2907.239790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2907.239790 (E_RNA) where: Base-Base interactions energy: -1990.777 where: short stacking energy: -827.089 Base-Backbone interact. energy: -0.324 local terms energy: -916.139250 where: bonds (distance) C4'-P energy: -164.197 bonds (distance) P-C4' energy: -185.733 flat angles C4'-P-C4' energy: -192.406 flat angles P-C4'-P energy: -112.706 tors. eta vs tors. theta energy: -261.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -2790.155873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2790.155873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2790.155873 (E_RNA) where: Base-Base interactions energy: -1918.670 where: short stacking energy: -799.006 Base-Backbone interact. energy: -5.098 local terms energy: -866.387732 where: bonds (distance) C4'-P energy: -154.499 bonds (distance) P-C4' energy: -163.449 flat angles C4'-P-C4' energy: -187.897 flat angles P-C4'-P energy: -137.528 tors. eta vs tors. theta energy: -223.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -2630.046903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2630.046903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2630.046903 (E_RNA) where: Base-Base interactions energy: -1815.754 where: short stacking energy: -755.412 Base-Backbone interact. energy: 3.864 local terms energy: -818.157139 where: bonds (distance) C4'-P energy: -147.950 bonds (distance) P-C4' energy: -156.768 flat angles C4'-P-C4' energy: -185.224 flat angles P-C4'-P energy: -123.074 tors. eta vs tors. theta energy: -205.140 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: 7 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -2425.321340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.321340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.321340 (E_RNA) where: Base-Base interactions energy: -1676.028 where: short stacking energy: -755.313 Base-Backbone interact. energy: -1.314 local terms energy: -747.979463 where: bonds (distance) C4'-P energy: -117.160 bonds (distance) P-C4' energy: -142.335 flat angles C4'-P-C4' energy: -176.242 flat angles P-C4'-P energy: -119.300 tors. eta vs tors. theta energy: -192.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -2061.851931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2061.851931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2061.851931 (E_RNA) where: Base-Base interactions energy: -1414.809 where: short stacking energy: -605.469 Base-Backbone interact. energy: -3.644 local terms energy: -643.398245 where: bonds (distance) C4'-P energy: -145.997 bonds (distance) P-C4' energy: -129.323 flat angles C4'-P-C4' energy: -149.982 flat angles P-C4'-P energy: -84.081 tors. eta vs tors. theta energy: -134.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -1689.641549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.641549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.641549 (E_RNA) where: Base-Base interactions energy: -1035.625 where: short stacking energy: -454.869 Base-Backbone interact. energy: -2.383 local terms energy: -651.633798 where: bonds (distance) C4'-P energy: -170.069 bonds (distance) P-C4' energy: -177.209 flat angles C4'-P-C4' energy: -136.482 flat angles P-C4'-P energy: -76.739 tors. eta vs tors. theta energy: -91.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -1054.117025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.117025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.117025 (E_RNA) where: Base-Base interactions energy: -568.874 where: short stacking energy: -304.535 Base-Backbone interact. energy: -1.074 local terms energy: -484.168550 where: bonds (distance) C4'-P energy: -142.947 bonds (distance) P-C4' energy: -142.419 flat angles C4'-P-C4' energy: -136.258 flat angles P-C4'-P energy: -66.397 tors. eta vs tors. theta energy: 3.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -3341.612105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3341.612105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3341.612105 (E_RNA) where: Base-Base interactions energy: -2360.744 where: short stacking energy: -992.001 Base-Backbone interact. energy: 3.283 local terms energy: -984.151429 where: bonds (distance) C4'-P energy: -170.387 bonds (distance) P-C4' energy: -184.090 flat angles C4'-P-C4' energy: -215.181 flat angles P-C4'-P energy: -138.965 tors. eta vs tors. theta energy: -275.528 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: 2 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -3251.854899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3251.854899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3251.854899 (E_RNA) where: Base-Base interactions energy: -2285.512 where: short stacking energy: -951.029 Base-Backbone interact. energy: -0.176 local terms energy: -966.166840 where: bonds (distance) C4'-P energy: -161.228 bonds (distance) P-C4' energy: -167.080 flat angles C4'-P-C4' energy: -205.024 flat angles P-C4'-P energy: -146.616 tors. eta vs tors. theta energy: -286.219 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: 3, replica: 1 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -3062.572070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.572070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.572070 (E_RNA) where: Base-Base interactions energy: -2115.942 where: short stacking energy: -933.321 Base-Backbone interact. energy: -4.998 local terms energy: -941.631582 where: bonds (distance) C4'-P energy: -164.722 bonds (distance) P-C4' energy: -165.666 flat angles C4'-P-C4' energy: -204.286 flat angles P-C4'-P energy: -138.648 tors. eta vs tors. theta energy: -268.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -2896.590539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2896.590539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2896.590539 (E_RNA) where: Base-Base interactions energy: -2018.451 where: short stacking energy: -876.241 Base-Backbone interact. energy: -2.492 local terms energy: -875.647738 where: bonds (distance) C4'-P energy: -160.890 bonds (distance) P-C4' energy: -158.173 flat angles C4'-P-C4' energy: -191.978 flat angles P-C4'-P energy: -122.766 tors. eta vs tors. theta energy: -241.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -2772.253983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.253983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.253983 (E_RNA) where: Base-Base interactions energy: -1903.651 where: short stacking energy: -797.018 Base-Backbone interact. energy: -5.405 local terms energy: -863.197590 where: bonds (distance) C4'-P energy: -155.278 bonds (distance) P-C4' energy: -139.553 flat angles C4'-P-C4' energy: -193.332 flat angles P-C4'-P energy: -137.544 tors. eta vs tors. theta energy: -237.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -2651.516810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2651.516810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2651.516810 (E_RNA) where: Base-Base interactions energy: -1831.941 where: short stacking energy: -774.651 Base-Backbone interact. energy: -1.376 local terms energy: -818.199645 where: bonds (distance) C4'-P energy: -153.707 bonds (distance) P-C4' energy: -156.474 flat angles C4'-P-C4' energy: -175.448 flat angles P-C4'-P energy: -113.218 tors. eta vs tors. theta energy: -219.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -2496.279511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2496.279511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2496.279511 (E_RNA) where: Base-Base interactions energy: -1732.880 where: short stacking energy: -733.371 Base-Backbone interact. energy: -2.484 local terms energy: -760.915882 where: bonds (distance) C4'-P energy: -138.047 bonds (distance) P-C4' energy: -143.292 flat angles C4'-P-C4' energy: -176.495 flat angles P-C4'-P energy: -109.707 tors. eta vs tors. theta energy: -193.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -2029.051807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2029.051807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2029.051807 (E_RNA) where: Base-Base interactions energy: -1386.878 where: short stacking energy: -610.211 Base-Backbone interact. energy: 1.998 local terms energy: -644.172436 where: bonds (distance) C4'-P energy: -131.509 bonds (distance) P-C4' energy: -148.404 flat angles C4'-P-C4' energy: -143.539 flat angles P-C4'-P energy: -92.414 tors. eta vs tors. theta energy: -128.306 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: 9, replica: 5 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -1681.770925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.770925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.770925 (E_RNA) where: Base-Base interactions energy: -1045.960 where: short stacking energy: -479.072 Base-Backbone interact. energy: -2.714 local terms energy: -633.097508 where: bonds (distance) C4'-P energy: -141.445 bonds (distance) P-C4' energy: -152.444 flat angles C4'-P-C4' energy: -144.966 flat angles P-C4'-P energy: -104.012 tors. eta vs tors. theta energy: -90.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -1042.672007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.672007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.672007 (E_RNA) where: Base-Base interactions energy: -548.165 where: short stacking energy: -297.854 Base-Backbone interact. energy: 6.556 local terms energy: -501.062845 where: bonds (distance) C4'-P energy: -133.795 bonds (distance) P-C4' energy: -128.930 flat angles C4'-P-C4' energy: -159.910 flat angles P-C4'-P energy: -79.026 tors. eta vs tors. theta energy: 0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -3375.861832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3375.861832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3375.861832 (E_RNA) where: Base-Base interactions energy: -2389.799 where: short stacking energy: -977.341 Base-Backbone interact. energy: 2.537 local terms energy: -988.600069 where: bonds (distance) C4'-P energy: -168.941 bonds (distance) P-C4' energy: -199.725 flat angles C4'-P-C4' energy: -202.695 flat angles P-C4'-P energy: -135.679 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: 2, replica: 2 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -3258.264639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3258.264639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3258.264639 (E_RNA) where: Base-Base interactions energy: -2305.376 where: short stacking energy: -958.595 Base-Backbone interact. energy: -0.802 local terms energy: -952.086667 where: bonds (distance) C4'-P energy: -172.017 bonds (distance) P-C4' energy: -169.105 flat angles C4'-P-C4' energy: -205.442 flat angles P-C4'-P energy: -136.150 tors. eta vs tors. theta energy: -269.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -3034.509641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3034.509641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3034.509641 (E_RNA) where: Base-Base interactions energy: -2097.308 where: short stacking energy: -913.209 Base-Backbone interact. energy: 2.063 local terms energy: -939.264892 where: bonds (distance) C4'-P energy: -172.128 bonds (distance) P-C4' energy: -171.442 flat angles C4'-P-C4' energy: -202.919 flat angles P-C4'-P energy: -134.417 tors. eta vs tors. theta energy: -258.359 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: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -2937.462673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2937.462673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2937.462673 (E_RNA) where: Base-Base interactions energy: -2052.207 where: short stacking energy: -840.411 Base-Backbone interact. energy: 2.798 local terms energy: -888.052915 where: bonds (distance) C4'-P energy: -167.271 bonds (distance) P-C4' energy: -170.496 flat angles C4'-P-C4' energy: -201.440 flat angles P-C4'-P energy: -113.328 tors. eta vs tors. theta energy: -235.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -2749.333883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2749.333883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2749.333883 (E_RNA) where: Base-Base interactions energy: -1892.060 where: short stacking energy: -803.416 Base-Backbone interact. energy: -3.121 local terms energy: -854.153483 where: bonds (distance) C4'-P energy: -158.513 bonds (distance) P-C4' energy: -168.067 flat angles C4'-P-C4' energy: -181.441 flat angles P-C4'-P energy: -121.588 tors. eta vs tors. theta energy: -224.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -2710.737515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2710.737515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2710.737515 (E_RNA) where: Base-Base interactions energy: -1889.983 where: short stacking energy: -794.197 Base-Backbone interact. energy: -4.049 local terms energy: -816.705090 where: bonds (distance) C4'-P energy: -144.095 bonds (distance) P-C4' energy: -163.309 flat angles C4'-P-C4' energy: -179.393 flat angles P-C4'-P energy: -113.646 tors. eta vs tors. theta energy: -216.262 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: 7 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -2357.681191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2357.681191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2357.681191 (E_RNA) where: Base-Base interactions energy: -1609.193 where: short stacking energy: -693.707 Base-Backbone interact. energy: 1.558 local terms energy: -750.046274 where: bonds (distance) C4'-P energy: -138.002 bonds (distance) P-C4' energy: -156.030 flat angles C4'-P-C4' energy: -161.201 flat angles P-C4'-P energy: -109.739 tors. eta vs tors. theta energy: -185.075 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: 9 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -2054.629898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2054.629898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2054.629898 (E_RNA) where: Base-Base interactions energy: -1371.993 where: short stacking energy: -581.592 Base-Backbone interact. energy: 2.680 local terms energy: -685.316672 where: bonds (distance) C4'-P energy: -137.033 bonds (distance) P-C4' energy: -143.282 flat angles C4'-P-C4' energy: -180.918 flat angles P-C4'-P energy: -97.782 tors. eta vs tors. theta energy: -126.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -1727.657583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.657583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.657583 (E_RNA) where: Base-Base interactions energy: -1095.831 where: short stacking energy: -505.848 Base-Backbone interact. energy: -1.299 local terms energy: -630.526758 where: bonds (distance) C4'-P energy: -140.806 bonds (distance) P-C4' energy: -163.133 flat angles C4'-P-C4' energy: -134.176 flat angles P-C4'-P energy: -96.586 tors. eta vs tors. theta energy: -95.826 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: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -1007.882914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.882914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.882914 (E_RNA) where: Base-Base interactions energy: -518.072 where: short stacking energy: -279.196 Base-Backbone interact. energy: -2.164 local terms energy: -487.647493 where: bonds (distance) C4'-P energy: -137.629 bonds (distance) P-C4' energy: -150.532 flat angles C4'-P-C4' energy: -119.661 flat angles P-C4'-P energy: -75.920 tors. eta vs tors. theta energy: -3.906 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: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -3335.849814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3335.849814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3335.849814 (E_RNA) where: Base-Base interactions energy: -2364.255 where: short stacking energy: -966.539 Base-Backbone interact. energy: -0.197 local terms energy: -971.397600 where: bonds (distance) C4'-P energy: -175.975 bonds (distance) P-C4' energy: -176.350 flat angles C4'-P-C4' energy: -202.311 flat angles P-C4'-P energy: -140.863 tors. eta vs tors. theta energy: -275.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -3259.229700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3259.229700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3259.229700 (E_RNA) where: Base-Base interactions energy: -2285.610 where: short stacking energy: -959.016 Base-Backbone interact. energy: 2.822 local terms energy: -976.441939 where: bonds (distance) C4'-P energy: -176.957 bonds (distance) P-C4' energy: -177.133 flat angles C4'-P-C4' energy: -204.459 flat angles P-C4'-P energy: -139.256 tors. eta vs tors. theta energy: -278.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -3076.638545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3076.638545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3076.638545 (E_RNA) where: Base-Base interactions energy: -2129.980 where: short stacking energy: -919.125 Base-Backbone interact. energy: -5.530 local terms energy: -941.129023 where: bonds (distance) C4'-P energy: -167.577 bonds (distance) P-C4' energy: -161.599 flat angles C4'-P-C4' energy: -202.078 flat angles P-C4'-P energy: -148.919 tors. eta vs tors. theta energy: -260.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -2972.044449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2972.044449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2972.044449 (E_RNA) where: Base-Base interactions energy: -2075.889 where: short stacking energy: -899.795 Base-Backbone interact. energy: -3.193 local terms energy: -892.962783 where: bonds (distance) C4'-P energy: -169.048 bonds (distance) P-C4' energy: -145.787 flat angles C4'-P-C4' energy: -193.147 flat angles P-C4'-P energy: -128.021 tors. eta vs tors. theta energy: -256.960 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: 5, replica: 4 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -2755.120826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2755.120826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2755.120826 (E_RNA) where: Base-Base interactions energy: -1928.555 where: short stacking energy: -799.414 Base-Backbone interact. energy: 4.453 local terms energy: -831.018585 where: bonds (distance) C4'-P energy: -156.901 bonds (distance) P-C4' energy: -150.130 flat angles C4'-P-C4' energy: -185.678 flat angles P-C4'-P energy: -106.418 tors. eta vs tors. theta energy: -231.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -2676.747282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2676.747282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2676.747282 (E_RNA) where: Base-Base interactions energy: -1869.569 where: short stacking energy: -769.734 Base-Backbone interact. energy: -1.467 local terms energy: -805.711819 where: bonds (distance) C4'-P energy: -168.858 bonds (distance) P-C4' energy: -135.846 flat angles C4'-P-C4' energy: -181.535 flat angles P-C4'-P energy: -104.733 tors. eta vs tors. theta energy: -214.740 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: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -2414.034539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2414.034539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2414.034539 (E_RNA) where: Base-Base interactions energy: -1631.039 where: short stacking energy: -691.985 Base-Backbone interact. energy: 0.254 local terms energy: -783.248774 where: bonds (distance) C4'-P energy: -151.083 bonds (distance) P-C4' energy: -148.909 flat angles C4'-P-C4' energy: -187.606 flat angles P-C4'-P energy: -118.876 tors. eta vs tors. theta energy: -176.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -2070.563528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2070.563528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2070.563528 (E_RNA) where: Base-Base interactions energy: -1392.405 where: short stacking energy: -578.688 Base-Backbone interact. energy: -0.606 local terms energy: -677.552403 where: bonds (distance) C4'-P energy: -165.775 bonds (distance) P-C4' energy: -130.197 flat angles C4'-P-C4' energy: -176.151 flat angles P-C4'-P energy: -80.677 tors. eta vs tors. theta energy: -124.751 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: 5 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -1740.212614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.212614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.212614 (E_RNA) where: Base-Base interactions energy: -1124.746 where: short stacking energy: -542.373 Base-Backbone interact. energy: 2.691 local terms energy: -618.158308 where: bonds (distance) C4'-P energy: -127.064 bonds (distance) P-C4' energy: -148.253 flat angles C4'-P-C4' energy: -143.749 flat angles P-C4'-P energy: -88.205 tors. eta vs tors. theta energy: -110.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -1019.950672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.950672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.950672 (E_RNA) where: Base-Base interactions energy: -493.010 where: short stacking energy: -257.144 Base-Backbone interact. energy: 4.001 local terms energy: -530.941643 where: bonds (distance) C4'-P energy: -148.018 bonds (distance) P-C4' energy: -161.046 flat angles C4'-P-C4' energy: -140.124 flat angles P-C4'-P energy: -85.860 tors. eta vs tors. theta energy: 4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -3376.748433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3376.748433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3376.748433 (E_RNA) where: Base-Base interactions energy: -2382.585 where: short stacking energy: -960.399 Base-Backbone interact. energy: -3.916 local terms energy: -990.247138 where: bonds (distance) C4'-P energy: -182.188 bonds (distance) P-C4' energy: -177.745 flat angles C4'-P-C4' energy: -205.904 flat angles P-C4'-P energy: -152.479 tors. eta vs tors. theta energy: -271.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -3250.110459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3250.110459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3250.110459 (E_RNA) where: Base-Base interactions energy: -2289.482 where: short stacking energy: -973.543 Base-Backbone interact. energy: -3.893 local terms energy: -956.735819 where: bonds (distance) C4'-P energy: -158.353 bonds (distance) P-C4' energy: -179.620 flat angles C4'-P-C4' energy: -211.137 flat angles P-C4'-P energy: -129.768 tors. eta vs tors. theta energy: -277.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -3078.747192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3078.747192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3078.747192 (E_RNA) where: Base-Base interactions energy: -2165.677 where: short stacking energy: -894.952 Base-Backbone interact. energy: -1.127 local terms energy: -911.943471 where: bonds (distance) C4'-P energy: -162.855 bonds (distance) P-C4' energy: -155.710 flat angles C4'-P-C4' energy: -194.256 flat angles P-C4'-P energy: -134.835 tors. eta vs tors. theta energy: -264.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -2975.064742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2975.064742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2975.064742 (E_RNA) where: Base-Base interactions energy: -2073.487 where: short stacking energy: -839.746 Base-Backbone interact. energy: -2.591 local terms energy: -898.987381 where: bonds (distance) C4'-P energy: -149.108 bonds (distance) P-C4' energy: -180.563 flat angles C4'-P-C4' energy: -196.757 flat angles P-C4'-P energy: -124.864 tors. eta vs tors. theta energy: -247.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -2803.434927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2803.434927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2803.434927 (E_RNA) where: Base-Base interactions energy: -1934.292 where: short stacking energy: -793.222 Base-Backbone interact. energy: -1.550 local terms energy: -867.593217 where: bonds (distance) C4'-P energy: -155.447 bonds (distance) P-C4' energy: -170.470 flat angles C4'-P-C4' energy: -197.319 flat angles P-C4'-P energy: -120.157 tors. eta vs tors. theta energy: -224.200 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: 6, replica: 3 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -2643.573323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2643.573323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2643.573323 (E_RNA) where: Base-Base interactions energy: -1852.052 where: short stacking energy: -779.812 Base-Backbone interact. energy: -0.665 local terms energy: -790.856933 where: bonds (distance) C4'-P energy: -165.314 bonds (distance) P-C4' energy: -136.610 flat angles C4'-P-C4' energy: -173.339 flat angles P-C4'-P energy: -109.494 tors. eta vs tors. theta energy: -206.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -2425.976560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2425.976560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2425.976560 (E_RNA) where: Base-Base interactions energy: -1668.323 where: short stacking energy: -701.181 Base-Backbone interact. energy: -4.407 local terms energy: -753.246120 where: bonds (distance) C4'-P energy: -150.443 bonds (distance) P-C4' energy: -145.239 flat angles C4'-P-C4' energy: -169.614 flat angles P-C4'-P energy: -113.232 tors. eta vs tors. theta energy: -174.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1897.679302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.679302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.679302 (E_RNA) where: Base-Base interactions energy: -1273.116 where: short stacking energy: -547.490 Base-Backbone interact. energy: -1.398 local terms energy: -623.165611 where: bonds (distance) C4'-P energy: -151.943 bonds (distance) P-C4' energy: -154.278 flat angles C4'-P-C4' energy: -152.620 flat angles P-C4'-P energy: -69.745 tors. eta vs tors. theta energy: -94.580 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: 5 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -1670.238169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.238169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.238169 (E_RNA) where: Base-Base interactions energy: -1040.195 where: short stacking energy: -472.472 Base-Backbone interact. energy: -2.577 local terms energy: -627.465307 where: bonds (distance) C4'-P energy: -154.306 bonds (distance) P-C4' energy: -146.295 flat angles C4'-P-C4' energy: -146.010 flat angles P-C4'-P energy: -89.005 tors. eta vs tors. theta energy: -91.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -1092.124733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.124733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.124733 (E_RNA) where: Base-Base interactions energy: -570.023 where: short stacking energy: -294.935 Base-Backbone interact. energy: -0.029 local terms energy: -522.072037 where: bonds (distance) C4'-P energy: -140.995 bonds (distance) P-C4' energy: -155.711 flat angles C4'-P-C4' energy: -142.525 flat angles P-C4'-P energy: -66.888 tors. eta vs tors. theta energy: -15.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -3362.341470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3362.341470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3362.341470 (E_RNA) where: Base-Base interactions energy: -2370.093 where: short stacking energy: -977.955 Base-Backbone interact. energy: 3.827 local terms energy: -996.075269 where: bonds (distance) C4'-P energy: -179.865 bonds (distance) P-C4' energy: -177.914 flat angles C4'-P-C4' energy: -210.874 flat angles P-C4'-P energy: -149.656 tors. eta vs tors. theta energy: -277.766 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: 2 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -3279.454310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3279.454310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3279.454310 (E_RNA) where: Base-Base interactions energy: -2318.490 where: short stacking energy: -950.923 Base-Backbone interact. energy: -1.847 local terms energy: -959.116955 where: bonds (distance) C4'-P energy: -171.406 bonds (distance) P-C4' energy: -179.220 flat angles C4'-P-C4' energy: -207.149 flat angles P-C4'-P energy: -134.538 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: 3, replica: 1 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -3031.766643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3031.766643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3031.766643 (E_RNA) where: Base-Base interactions energy: -2132.268 where: short stacking energy: -909.801 Base-Backbone interact. energy: -2.078 local terms energy: -897.421006 where: bonds (distance) C4'-P energy: -163.464 bonds (distance) P-C4' energy: -173.174 flat angles C4'-P-C4' energy: -187.623 flat angles P-C4'-P energy: -113.235 tors. eta vs tors. theta energy: -259.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -2922.411943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2922.411943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2922.411943 (E_RNA) where: Base-Base interactions energy: -2064.711 where: short stacking energy: -848.093 Base-Backbone interact. energy: -3.573 local terms energy: -854.128070 where: bonds (distance) C4'-P energy: -159.315 bonds (distance) P-C4' energy: -158.117 flat angles C4'-P-C4' energy: -174.494 flat angles P-C4'-P energy: -112.014 tors. eta vs tors. theta energy: -250.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -2780.105791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2780.105791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2780.105791 (E_RNA) where: Base-Base interactions energy: -1907.415 where: short stacking energy: -798.192 Base-Backbone interact. energy: -0.333 local terms energy: -872.357676 where: bonds (distance) C4'-P energy: -152.736 bonds (distance) P-C4' energy: -168.407 flat angles C4'-P-C4' energy: -185.565 flat angles P-C4'-P energy: -122.265 tors. eta vs tors. theta energy: -243.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -2648.261627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.261627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.261627 (E_RNA) where: Base-Base interactions energy: -1851.591 where: short stacking energy: -762.058 Base-Backbone interact. energy: -4.119 local terms energy: -792.551563 where: bonds (distance) C4'-P energy: -146.666 bonds (distance) P-C4' energy: -134.907 flat angles C4'-P-C4' energy: -182.381 flat angles P-C4'-P energy: -108.234 tors. eta vs tors. theta energy: -220.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -2377.139827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2377.139827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2377.139827 (E_RNA) where: Base-Base interactions energy: -1654.033 where: short stacking energy: -683.535 Base-Backbone interact. energy: -0.702 local terms energy: -722.404897 where: bonds (distance) C4'-P energy: -144.822 bonds (distance) P-C4' energy: -162.368 flat angles C4'-P-C4' energy: -157.501 flat angles P-C4'-P energy: -82.098 tors. eta vs tors. theta energy: -175.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -1961.153693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1961.153693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1961.153693 (E_RNA) where: Base-Base interactions energy: -1296.663 where: short stacking energy: -576.486 Base-Backbone interact. energy: -2.175 local terms energy: -662.316336 where: bonds (distance) C4'-P energy: -147.274 bonds (distance) P-C4' energy: -161.151 flat angles C4'-P-C4' energy: -147.606 flat angles P-C4'-P energy: -96.967 tors. eta vs tors. theta energy: -109.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -1662.583018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.583018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.583018 (E_RNA) where: Base-Base interactions energy: -1074.338 where: short stacking energy: -515.330 Base-Backbone interact. energy: -0.227 local terms energy: -588.018528 where: bonds (distance) C4'-P energy: -127.778 bonds (distance) P-C4' energy: -150.847 flat angles C4'-P-C4' energy: -131.663 flat angles P-C4'-P energy: -98.914 tors. eta vs tors. theta energy: -78.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -1101.609245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.609245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.609245 (E_RNA) where: Base-Base interactions energy: -593.948 where: short stacking energy: -315.099 Base-Backbone interact. energy: 15.046 local terms energy: -522.707822 where: bonds (distance) C4'-P energy: -128.998 bonds (distance) P-C4' energy: -130.818 flat angles C4'-P-C4' energy: -152.456 flat angles P-C4'-P energy: -85.406 tors. eta vs tors. theta energy: -25.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -3356.524038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3356.524038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3356.524038 (E_RNA) where: Base-Base interactions energy: -2378.957 where: short stacking energy: -1003.930 Base-Backbone interact. energy: -1.816 local terms energy: -975.751039 where: bonds (distance) C4'-P energy: -196.756 bonds (distance) P-C4' energy: -180.179 flat angles C4'-P-C4' energy: -199.052 flat angles P-C4'-P energy: -121.658 tors. eta vs tors. theta energy: -278.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -3273.317751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.317751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.317751 (E_RNA) where: Base-Base interactions energy: -2314.056 where: short stacking energy: -973.206 Base-Backbone interact. energy: -3.924 local terms energy: -955.338067 where: bonds (distance) C4'-P energy: -168.729 bonds (distance) P-C4' energy: -190.934 flat angles C4'-P-C4' energy: -189.998 flat angles P-C4'-P energy: -126.851 tors. eta vs tors. theta energy: -278.826 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: 468 Temperature: 1.000000 Total energy: -3023.847782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3023.847782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3023.847782 (E_RNA) where: Base-Base interactions energy: -2109.943 where: short stacking energy: -868.346 Base-Backbone interact. energy: -2.105 local terms energy: -911.799704 where: bonds (distance) C4'-P energy: -175.383 bonds (distance) P-C4' energy: -172.666 flat angles C4'-P-C4' energy: -200.518 flat angles P-C4'-P energy: -113.625 tors. eta vs tors. theta energy: -249.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -2925.423690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2925.423690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2925.423690 (E_RNA) where: Base-Base interactions energy: -2007.709 where: short stacking energy: -886.578 Base-Backbone interact. energy: -1.587 local terms energy: -916.128003 where: bonds (distance) C4'-P energy: -157.680 bonds (distance) P-C4' energy: -162.047 flat angles C4'-P-C4' energy: -202.342 flat angles P-C4'-P energy: -126.479 tors. eta vs tors. theta energy: -267.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -2766.276454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.276454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.276454 (E_RNA) where: Base-Base interactions energy: -1914.501 where: short stacking energy: -797.199 Base-Backbone interact. energy: -2.553 local terms energy: -849.223266 where: bonds (distance) C4'-P energy: -164.786 bonds (distance) P-C4' energy: -163.219 flat angles C4'-P-C4' energy: -178.885 flat angles P-C4'-P energy: -106.449 tors. eta vs tors. theta energy: -235.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -2661.120992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2661.120992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2661.120992 (E_RNA) where: Base-Base interactions energy: -1867.177 where: short stacking energy: -778.848 Base-Backbone interact. energy: -1.598 local terms energy: -792.345800 where: bonds (distance) C4'-P energy: -142.757 bonds (distance) P-C4' energy: -153.553 flat angles C4'-P-C4' energy: -159.379 flat angles P-C4'-P energy: -124.578 tors. eta vs tors. theta energy: -212.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -2331.271844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2331.271844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2331.271844 (E_RNA) where: Base-Base interactions energy: -1588.986 where: short stacking energy: -678.354 Base-Backbone interact. energy: -2.608 local terms energy: -739.677990 where: bonds (distance) C4'-P energy: -132.396 bonds (distance) P-C4' energy: -145.913 flat angles C4'-P-C4' energy: -176.744 flat angles P-C4'-P energy: -85.548 tors. eta vs tors. theta energy: -199.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1988.370473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.370473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.370473 (E_RNA) where: Base-Base interactions energy: -1320.130 where: short stacking energy: -567.232 Base-Backbone interact. energy: 0.707 local terms energy: -668.946848 where: bonds (distance) C4'-P energy: -144.611 bonds (distance) P-C4' energy: -141.495 flat angles C4'-P-C4' energy: -147.697 flat angles P-C4'-P energy: -102.339 tors. eta vs tors. theta energy: -132.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -1640.652350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.652350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.652350 (E_RNA) where: Base-Base interactions energy: -1044.398 where: short stacking energy: -510.338 Base-Backbone interact. energy: -1.575 local terms energy: -594.679208 where: bonds (distance) C4'-P energy: -144.512 bonds (distance) P-C4' energy: -128.483 flat angles C4'-P-C4' energy: -140.542 flat angles P-C4'-P energy: -89.622 tors. eta vs tors. theta energy: -91.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -1123.334634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.334634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.334634 (E_RNA) where: Base-Base interactions energy: -602.348 where: short stacking energy: -322.236 Base-Backbone interact. energy: -0.918 local terms energy: -520.067969 where: bonds (distance) C4'-P energy: -134.641 bonds (distance) P-C4' energy: -142.844 flat angles C4'-P-C4' energy: -136.162 flat angles P-C4'-P energy: -93.938 tors. eta vs tors. theta energy: -12.484 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: 1, replica: 2 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -3307.842561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3307.842561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3307.842561 (E_RNA) where: Base-Base interactions energy: -2309.314 where: short stacking energy: -951.544 Base-Backbone interact. energy: -2.511 local terms energy: -996.017283 where: bonds (distance) C4'-P energy: -187.985 bonds (distance) P-C4' energy: -189.745 flat angles C4'-P-C4' energy: -198.520 flat angles P-C4'-P energy: -140.113 tors. eta vs tors. theta energy: -279.654 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: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -3265.552554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3265.552554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3265.552554 (E_RNA) where: Base-Base interactions energy: -2309.980 where: short stacking energy: -967.145 Base-Backbone interact. energy: -4.438 local terms energy: -951.134276 where: bonds (distance) C4'-P energy: -166.107 bonds (distance) P-C4' energy: -145.806 flat angles C4'-P-C4' energy: -209.564 flat angles P-C4'-P energy: -148.440 tors. eta vs tors. theta energy: -281.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -3039.552156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.552156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.552156 (E_RNA) where: Base-Base interactions energy: -2121.699 where: short stacking energy: -901.026 Base-Backbone interact. energy: -0.935 local terms energy: -916.917730 where: bonds (distance) C4'-P energy: -155.926 bonds (distance) P-C4' energy: -168.228 flat angles C4'-P-C4' energy: -191.332 flat angles P-C4'-P energy: -142.331 tors. eta vs tors. theta energy: -259.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -2902.799404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2902.799404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2902.799404 (E_RNA) where: Base-Base interactions energy: -1990.958 where: short stacking energy: -820.408 Base-Backbone interact. energy: 4.335 local terms energy: -916.176204 where: bonds (distance) C4'-P energy: -161.327 bonds (distance) P-C4' energy: -172.399 flat angles C4'-P-C4' energy: -190.481 flat angles P-C4'-P energy: -148.174 tors. eta vs tors. theta energy: -243.795 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: 4 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -2743.732928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2743.732928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2743.732928 (E_RNA) where: Base-Base interactions energy: -1900.965 where: short stacking energy: -819.288 Base-Backbone interact. energy: -6.257 local terms energy: -836.510854 where: bonds (distance) C4'-P energy: -177.212 bonds (distance) P-C4' energy: -163.881 flat angles C4'-P-C4' energy: -177.711 flat angles P-C4'-P energy: -83.150 tors. eta vs tors. theta energy: -234.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -2681.698823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2681.698823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2681.698823 (E_RNA) where: Base-Base interactions energy: -1844.745 where: short stacking energy: -789.779 Base-Backbone interact. energy: -1.279 local terms energy: -835.674440 where: bonds (distance) C4'-P energy: -169.351 bonds (distance) P-C4' energy: -153.172 flat angles C4'-P-C4' energy: -173.455 flat angles P-C4'-P energy: -121.366 tors. eta vs tors. theta energy: -218.329 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: 7 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -2423.459490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2423.459490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2423.459490 (E_RNA) where: Base-Base interactions energy: -1655.010 where: short stacking energy: -705.916 Base-Backbone interact. energy: -1.055 local terms energy: -767.394067 where: bonds (distance) C4'-P energy: -147.689 bonds (distance) P-C4' energy: -153.689 flat angles C4'-P-C4' energy: -171.712 flat angles P-C4'-P energy: -109.389 tors. eta vs tors. theta energy: -184.916 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: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1933.257548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1933.257548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1933.257548 (E_RNA) where: Base-Base interactions energy: -1306.987 where: short stacking energy: -555.819 Base-Backbone interact. energy: 1.753 local terms energy: -628.023926 where: bonds (distance) C4'-P energy: -132.178 bonds (distance) P-C4' energy: -151.987 flat angles C4'-P-C4' energy: -157.411 flat angles P-C4'-P energy: -92.752 tors. eta vs tors. theta energy: -93.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -1678.868619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.868619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.868619 (E_RNA) where: Base-Base interactions energy: -1012.200 where: short stacking energy: -488.340 Base-Backbone interact. energy: -0.131 local terms energy: -666.538412 where: bonds (distance) C4'-P energy: -153.110 bonds (distance) P-C4' energy: -166.300 flat angles C4'-P-C4' energy: -144.402 flat angles P-C4'-P energy: -100.164 tors. eta vs tors. theta energy: -102.562 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: 10, replica: 10 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -1060.016241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.016241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.016241 (E_RNA) where: Base-Base interactions energy: -627.797 where: short stacking energy: -344.367 Base-Backbone interact. energy: -0.074 local terms energy: -432.144553 where: bonds (distance) C4'-P energy: -99.934 bonds (distance) P-C4' energy: -150.788 flat angles C4'-P-C4' energy: -106.480 flat angles P-C4'-P energy: -66.826 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: 1, replica: 2 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -3327.341824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3327.341824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3327.341824 (E_RNA) where: Base-Base interactions energy: -2347.154 where: short stacking energy: -985.286 Base-Backbone interact. energy: -5.873 local terms energy: -974.315439 where: bonds (distance) C4'-P energy: -173.425 bonds (distance) P-C4' energy: -188.371 flat angles C4'-P-C4' energy: -204.852 flat angles P-C4'-P energy: -140.145 tors. eta vs tors. theta energy: -267.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -3237.082584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3237.082584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3237.082584 (E_RNA) where: Base-Base interactions energy: -2288.508 where: short stacking energy: -944.345 Base-Backbone interact. energy: -3.848 local terms energy: -944.727133 where: bonds (distance) C4'-P energy: -167.796 bonds (distance) P-C4' energy: -164.238 flat angles C4'-P-C4' energy: -201.178 flat angles P-C4'-P energy: -133.662 tors. eta vs tors. theta energy: -277.853 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: 3, replica: 1 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -3050.063531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.063531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.063531 (E_RNA) where: Base-Base interactions energy: -2094.223 where: short stacking energy: -902.572 Base-Backbone interact. energy: -0.747 local terms energy: -955.092994 where: bonds (distance) C4'-P energy: -160.659 bonds (distance) P-C4' energy: -180.652 flat angles C4'-P-C4' energy: -197.803 flat angles P-C4'-P energy: -151.499 tors. eta vs tors. theta energy: -264.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -2909.020113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.020113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.020113 (E_RNA) where: Base-Base interactions energy: -2007.605 where: short stacking energy: -860.301 Base-Backbone interact. energy: 1.828 local terms energy: -903.243072 where: bonds (distance) C4'-P energy: -155.874 bonds (distance) P-C4' energy: -172.881 flat angles C4'-P-C4' energy: -188.374 flat angles P-C4'-P energy: -135.823 tors. eta vs tors. theta energy: -250.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -2772.516772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2772.516772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2772.516772 (E_RNA) where: Base-Base interactions energy: -1915.825 where: short stacking energy: -810.220 Base-Backbone interact. energy: 12.170 local terms energy: -868.862042 where: bonds (distance) C4'-P energy: -159.909 bonds (distance) P-C4' energy: -165.828 flat angles C4'-P-C4' energy: -201.386 flat angles P-C4'-P energy: -118.064 tors. eta vs tors. theta energy: -223.675 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: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -2641.333134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2641.333134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2641.333134 (E_RNA) where: Base-Base interactions energy: -1813.439 where: short stacking energy: -775.556 Base-Backbone interact. energy: -2.158 local terms energy: -825.735846 where: bonds (distance) C4'-P energy: -159.240 bonds (distance) P-C4' energy: -154.465 flat angles C4'-P-C4' energy: -167.470 flat angles P-C4'-P energy: -125.256 tors. eta vs tors. theta energy: -219.305 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: 7 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -2420.585953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2420.585953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2420.585953 (E_RNA) where: Base-Base interactions energy: -1654.111 where: short stacking energy: -696.331 Base-Backbone interact. energy: -4.267 local terms energy: -762.207440 where: bonds (distance) C4'-P energy: -148.094 bonds (distance) P-C4' energy: -162.380 flat angles C4'-P-C4' energy: -150.806 flat angles P-C4'-P energy: -112.556 tors. eta vs tors. theta energy: -188.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1932.946571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1932.946571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1932.946571 (E_RNA) where: Base-Base interactions energy: -1273.966 where: short stacking energy: -573.018 Base-Backbone interact. energy: -2.040 local terms energy: -656.940622 where: bonds (distance) C4'-P energy: -145.125 bonds (distance) P-C4' energy: -131.695 flat angles C4'-P-C4' energy: -154.455 flat angles P-C4'-P energy: -96.806 tors. eta vs tors. theta energy: -128.860 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: 9, replica: 5 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -1670.671460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.671460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.671460 (E_RNA) where: Base-Base interactions energy: -1056.917 where: short stacking energy: -503.990 Base-Backbone interact. energy: 5.132 local terms energy: -618.887044 where: bonds (distance) C4'-P energy: -145.381 bonds (distance) P-C4' energy: -143.754 flat angles C4'-P-C4' energy: -149.297 flat angles P-C4'-P energy: -98.096 tors. eta vs tors. theta energy: -82.360 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: 10, replica: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -1096.683500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.683500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.683500 (E_RNA) where: Base-Base interactions energy: -599.879 where: short stacking energy: -328.783 Base-Backbone interact. energy: -2.608 local terms energy: -494.196036 where: bonds (distance) C4'-P energy: -126.218 bonds (distance) P-C4' energy: -146.587 flat angles C4'-P-C4' energy: -136.970 flat angles P-C4'-P energy: -73.315 tors. eta vs tors. theta energy: -11.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -3332.729820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3332.729820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3332.729820 (E_RNA) where: Base-Base interactions energy: -2351.166 where: short stacking energy: -961.053 Base-Backbone interact. energy: -0.821 local terms energy: -980.742268 where: bonds (distance) C4'-P energy: -183.084 bonds (distance) P-C4' energy: -183.938 flat angles C4'-P-C4' energy: -200.817 flat angles P-C4'-P energy: -141.336 tors. eta vs tors. theta energy: -271.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -3268.977641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3268.977641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3268.977641 (E_RNA) where: Base-Base interactions energy: -2289.828 where: short stacking energy: -942.724 Base-Backbone interact. energy: -4.711 local terms energy: -974.438781 where: bonds (distance) C4'-P energy: -169.368 bonds (distance) P-C4' energy: -177.986 flat angles C4'-P-C4' energy: -210.485 flat angles P-C4'-P energy: -135.205 tors. eta vs tors. theta energy: -281.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -3051.623251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3051.623251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3051.623251 (E_RNA) where: Base-Base interactions energy: -2086.215 where: short stacking energy: -907.093 Base-Backbone interact. energy: -3.703 local terms energy: -961.705396 where: bonds (distance) C4'-P energy: -187.231 bonds (distance) P-C4' energy: -175.013 flat angles C4'-P-C4' energy: -204.466 flat angles P-C4'-P energy: -137.197 tors. eta vs tors. theta energy: -257.798 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: 8 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -2914.152409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.152409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.152409 (E_RNA) where: Base-Base interactions energy: -2078.731 where: short stacking energy: -869.599 Base-Backbone interact. energy: -6.060 local terms energy: -829.362139 where: bonds (distance) C4'-P energy: -130.345 bonds (distance) P-C4' energy: -161.874 flat angles C4'-P-C4' energy: -181.694 flat angles P-C4'-P energy: -114.538 tors. eta vs tors. theta energy: -240.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -2741.829372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2741.829372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2741.829372 (E_RNA) where: Base-Base interactions energy: -1928.026 where: short stacking energy: -830.450 Base-Backbone interact. energy: -2.618 local terms energy: -811.185030 where: bonds (distance) C4'-P energy: -141.474 bonds (distance) P-C4' energy: -167.386 flat angles C4'-P-C4' energy: -173.471 flat angles P-C4'-P energy: -103.517 tors. eta vs tors. theta energy: -225.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -2668.687376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2668.687376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2668.687376 (E_RNA) where: Base-Base interactions energy: -1872.202 where: short stacking energy: -828.239 Base-Backbone interact. energy: 1.416 local terms energy: -797.901844 where: bonds (distance) C4'-P energy: -126.526 bonds (distance) P-C4' energy: -163.902 flat angles C4'-P-C4' energy: -181.154 flat angles P-C4'-P energy: -102.347 tors. eta vs tors. theta energy: -223.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -2403.223361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2403.223361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2403.223361 (E_RNA) where: Base-Base interactions energy: -1642.664 where: short stacking energy: -681.571 Base-Backbone interact. energy: -2.525 local terms energy: -758.033759 where: bonds (distance) C4'-P energy: -142.285 bonds (distance) P-C4' energy: -155.583 flat angles C4'-P-C4' energy: -171.847 flat angles P-C4'-P energy: -110.988 tors. eta vs tors. theta energy: -177.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1886.789301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.789301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.789301 (E_RNA) where: Base-Base interactions energy: -1235.225 where: short stacking energy: -526.281 Base-Backbone interact. energy: 3.226 local terms energy: -654.789848 where: bonds (distance) C4'-P energy: -144.711 bonds (distance) P-C4' energy: -149.778 flat angles C4'-P-C4' energy: -175.272 flat angles P-C4'-P energy: -83.242 tors. eta vs tors. theta energy: -101.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1689.577419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.577419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.577419 (E_RNA) where: Base-Base interactions energy: -1082.824 where: short stacking energy: -498.699 Base-Backbone interact. energy: -4.399 local terms energy: -602.353950 where: bonds (distance) C4'-P energy: -148.665 bonds (distance) P-C4' energy: -144.811 flat angles C4'-P-C4' energy: -138.993 flat angles P-C4'-P energy: -86.848 tors. eta vs tors. theta energy: -83.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -1089.161521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.161521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.161521 (E_RNA) where: Base-Base interactions energy: -609.395 where: short stacking energy: -336.470 Base-Backbone interact. energy: -3.074 local terms energy: -476.692546 where: bonds (distance) C4'-P energy: -144.549 bonds (distance) P-C4' energy: -132.855 flat angles C4'-P-C4' energy: -130.617 flat angles P-C4'-P energy: -39.983 tors. eta vs tors. theta energy: -28.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -3301.848475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3301.848475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3301.848475 (E_RNA) where: Base-Base interactions energy: -2327.264 where: short stacking energy: -953.699 Base-Backbone interact. energy: -0.326 local terms energy: -974.258846 where: bonds (distance) C4'-P energy: -169.590 bonds (distance) P-C4' energy: -195.886 flat angles C4'-P-C4' energy: -202.878 flat angles P-C4'-P energy: -139.419 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: 2, replica: 2 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -3256.968680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.968680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.968680 (E_RNA) where: Base-Base interactions energy: -2302.899 where: short stacking energy: -957.351 Base-Backbone interact. energy: 1.531 local terms energy: -955.600356 where: bonds (distance) C4'-P energy: -166.553 bonds (distance) P-C4' energy: -163.199 flat angles C4'-P-C4' energy: -219.896 flat angles P-C4'-P energy: -132.516 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: 3, replica: 1 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -3039.625636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3039.625636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3039.625636 (E_RNA) where: Base-Base interactions energy: -2097.257 where: short stacking energy: -892.485 Base-Backbone interact. energy: -1.327 local terms energy: -941.041327 where: bonds (distance) C4'-P energy: -175.350 bonds (distance) P-C4' energy: -174.774 flat angles C4'-P-C4' energy: -209.789 flat angles P-C4'-P energy: -124.535 tors. eta vs tors. theta energy: -256.594 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: 8 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -2880.533148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2880.533148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2880.533148 (E_RNA) where: Base-Base interactions energy: -1996.397 where: short stacking energy: -839.166 Base-Backbone interact. energy: -6.106 local terms energy: -878.029526 where: bonds (distance) C4'-P energy: -149.402 bonds (distance) P-C4' energy: -164.953 flat angles C4'-P-C4' energy: -197.732 flat angles P-C4'-P energy: -132.328 tors. eta vs tors. theta energy: -233.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -2748.216514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2748.216514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2748.216514 (E_RNA) where: Base-Base interactions energy: -1884.548 where: short stacking energy: -796.140 Base-Backbone interact. energy: 1.172 local terms energy: -864.840718 where: bonds (distance) C4'-P energy: -174.586 bonds (distance) P-C4' energy: -153.225 flat angles C4'-P-C4' energy: -195.839 flat angles P-C4'-P energy: -113.113 tors. eta vs tors. theta energy: -228.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -2608.776218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2608.776218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2608.776218 (E_RNA) where: Base-Base interactions energy: -1825.540 where: short stacking energy: -754.181 Base-Backbone interact. energy: 4.511 local terms energy: -787.747165 where: bonds (distance) C4'-P energy: -112.466 bonds (distance) P-C4' energy: -169.509 flat angles C4'-P-C4' energy: -179.658 flat angles P-C4'-P energy: -123.893 tors. eta vs tors. theta energy: -202.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -2353.346826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.346826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.346826 (E_RNA) where: Base-Base interactions energy: -1599.571 where: short stacking energy: -671.695 Base-Backbone interact. energy: -2.932 local terms energy: -750.843614 where: bonds (distance) C4'-P energy: -140.949 bonds (distance) P-C4' energy: -145.788 flat angles C4'-P-C4' energy: -189.137 flat angles P-C4'-P energy: -100.636 tors. eta vs tors. theta energy: -174.335 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: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -1824.967255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.967255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.967255 (E_RNA) where: Base-Base interactions energy: -1196.346 where: short stacking energy: -520.947 Base-Backbone interact. energy: 2.406 local terms energy: -631.027770 where: bonds (distance) C4'-P energy: -147.691 bonds (distance) P-C4' energy: -125.861 flat angles C4'-P-C4' energy: -165.513 flat angles P-C4'-P energy: -100.762 tors. eta vs tors. theta energy: -91.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -1674.935651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.935651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.935651 (E_RNA) where: Base-Base interactions energy: -1065.507 where: short stacking energy: -473.521 Base-Backbone interact. energy: -1.655 local terms energy: -607.773446 where: bonds (distance) C4'-P energy: -125.927 bonds (distance) P-C4' energy: -151.317 flat angles C4'-P-C4' energy: -160.436 flat angles P-C4'-P energy: -69.417 tors. eta vs tors. theta energy: -100.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -1106.216947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.216947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.216947 (E_RNA) where: Base-Base interactions energy: -610.149 where: short stacking energy: -341.585 Base-Backbone interact. energy: 5.238 local terms energy: -501.306009 where: bonds (distance) C4'-P energy: -132.247 bonds (distance) P-C4' energy: -138.886 flat angles C4'-P-C4' energy: -138.676 flat angles P-C4'-P energy: -60.590 tors. eta vs tors. theta energy: -30.906 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: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -3353.628261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3353.628261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3353.628261 (E_RNA) where: Base-Base interactions energy: -2373.335 where: short stacking energy: -992.672 Base-Backbone interact. energy: 1.559 local terms energy: -981.852252 where: bonds (distance) C4'-P energy: -177.214 bonds (distance) P-C4' energy: -175.188 flat angles C4'-P-C4' energy: -210.348 flat angles P-C4'-P energy: -137.537 tors. eta vs tors. theta energy: -281.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -3273.262527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.262527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.262527 (E_RNA) where: Base-Base interactions energy: -2300.077 where: short stacking energy: -952.364 Base-Backbone interact. energy: -5.017 local terms energy: -968.168434 where: bonds (distance) C4'-P energy: -167.511 bonds (distance) P-C4' energy: -177.390 flat angles C4'-P-C4' energy: -210.951 flat angles P-C4'-P energy: -139.208 tors. eta vs tors. theta energy: -273.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -3015.528155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3015.528155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3015.528155 (E_RNA) where: Base-Base interactions energy: -2105.194 where: short stacking energy: -888.697 Base-Backbone interact. energy: -6.385 local terms energy: -903.948828 where: bonds (distance) C4'-P energy: -170.259 bonds (distance) P-C4' energy: -175.889 flat angles C4'-P-C4' energy: -190.734 flat angles P-C4'-P energy: -112.442 tors. eta vs tors. theta energy: -254.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -2874.026996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2874.026996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2874.026996 (E_RNA) where: Base-Base interactions energy: -2006.465 where: short stacking energy: -817.779 Base-Backbone interact. energy: -3.026 local terms energy: -864.536068 where: bonds (distance) C4'-P energy: -158.446 bonds (distance) P-C4' energy: -189.182 flat angles C4'-P-C4' energy: -178.579 flat angles P-C4'-P energy: -108.011 tors. eta vs tors. theta energy: -230.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -2774.001490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2774.001490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2774.001490 (E_RNA) where: Base-Base interactions energy: -1909.703 where: short stacking energy: -844.230 Base-Backbone interact. energy: -0.480 local terms energy: -863.818929 where: bonds (distance) C4'-P energy: -165.813 bonds (distance) P-C4' energy: -153.333 flat angles C4'-P-C4' energy: -194.041 flat angles P-C4'-P energy: -117.705 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: 6, replica: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -2634.677369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2634.677369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2634.677369 (E_RNA) where: Base-Base interactions energy: -1818.946 where: short stacking energy: -748.775 Base-Backbone interact. energy: 1.466 local terms energy: -817.197153 where: bonds (distance) C4'-P energy: -168.980 bonds (distance) P-C4' energy: -133.281 flat angles C4'-P-C4' energy: -177.187 flat angles P-C4'-P energy: -128.033 tors. eta vs tors. theta energy: -209.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -2390.109857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2390.109857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2390.109857 (E_RNA) where: Base-Base interactions energy: -1606.550 where: short stacking energy: -678.495 Base-Backbone interact. energy: -0.124 local terms energy: -783.435621 where: bonds (distance) C4'-P energy: -151.048 bonds (distance) P-C4' energy: -174.748 flat angles C4'-P-C4' energy: -149.477 flat angles P-C4'-P energy: -120.354 tors. eta vs tors. theta energy: -187.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1842.904139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.904139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.904139 (E_RNA) where: Base-Base interactions energy: -1221.698 where: short stacking energy: -541.733 Base-Backbone interact. energy: 6.173 local terms energy: -627.379722 where: bonds (distance) C4'-P energy: -130.576 bonds (distance) P-C4' energy: -151.886 flat angles C4'-P-C4' energy: -158.750 flat angles P-C4'-P energy: -88.371 tors. eta vs tors. theta energy: -97.798 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: 5 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -1759.281698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.281698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.281698 (E_RNA) where: Base-Base interactions energy: -1129.688 where: short stacking energy: -495.067 Base-Backbone interact. energy: -4.425 local terms energy: -625.169170 where: bonds (distance) C4'-P energy: -132.013 bonds (distance) P-C4' energy: -155.260 flat angles C4'-P-C4' energy: -163.195 flat angles P-C4'-P energy: -89.031 tors. eta vs tors. theta energy: -85.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -1086.073524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.073524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.073524 (E_RNA) where: Base-Base interactions energy: -571.343 where: short stacking energy: -317.888 Base-Backbone interact. energy: -3.996 local terms energy: -510.734293 where: bonds (distance) C4'-P energy: -136.941 bonds (distance) P-C4' energy: -157.660 flat angles C4'-P-C4' energy: -93.819 flat angles P-C4'-P energy: -91.865 tors. eta vs tors. theta energy: -30.450 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: 1, replica: 6 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -3408.594440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3408.594440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3408.594440 (E_RNA) where: Base-Base interactions energy: -2407.622 where: short stacking energy: -983.102 Base-Backbone interact. energy: -4.462 local terms energy: -996.510509 where: bonds (distance) C4'-P energy: -167.001 bonds (distance) P-C4' energy: -187.906 flat angles C4'-P-C4' energy: -212.179 flat angles P-C4'-P energy: -139.003 tors. eta vs tors. theta energy: -290.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -3257.472840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3257.472840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3257.472840 (E_RNA) where: Base-Base interactions energy: -2300.543 where: short stacking energy: -954.718 Base-Backbone interact. energy: 1.312 local terms energy: -958.241862 where: bonds (distance) C4'-P energy: -168.428 bonds (distance) P-C4' energy: -177.334 flat angles C4'-P-C4' energy: -197.725 flat angles P-C4'-P energy: -138.542 tors. eta vs tors. theta energy: -276.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -3092.419369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3092.419369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3092.419369 (E_RNA) where: Base-Base interactions energy: -2168.079 where: short stacking energy: -919.982 Base-Backbone interact. energy: -1.403 local terms energy: -922.937843 where: bonds (distance) C4'-P energy: -174.999 bonds (distance) P-C4' energy: -154.012 flat angles C4'-P-C4' energy: -193.016 flat angles P-C4'-P energy: -140.123 tors. eta vs tors. theta energy: -260.787 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: 4, replica: 8 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -2866.937725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2866.937725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2866.937725 (E_RNA) where: Base-Base interactions energy: -1998.786 where: short stacking energy: -836.589 Base-Backbone interact. energy: -3.019 local terms energy: -865.132395 where: bonds (distance) C4'-P energy: -169.739 bonds (distance) P-C4' energy: -152.838 flat angles C4'-P-C4' energy: -190.005 flat angles P-C4'-P energy: -126.777 tors. eta vs tors. theta energy: -225.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -2810.231427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.231427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.231427 (E_RNA) where: Base-Base interactions energy: -1958.362 where: short stacking energy: -807.571 Base-Backbone interact. energy: -3.437 local terms energy: -848.432043 where: bonds (distance) C4'-P energy: -153.035 bonds (distance) P-C4' energy: -172.786 flat angles C4'-P-C4' energy: -176.076 flat angles P-C4'-P energy: -114.850 tors. eta vs tors. theta energy: -231.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -2663.111937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2663.111937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2663.111937 (E_RNA) where: Base-Base interactions energy: -1816.744 where: short stacking energy: -769.527 Base-Backbone interact. energy: 0.479 local terms energy: -846.847613 where: bonds (distance) C4'-P energy: -161.048 bonds (distance) P-C4' energy: -165.425 flat angles C4'-P-C4' energy: -181.430 flat angles P-C4'-P energy: -113.860 tors. eta vs tors. theta energy: -225.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -2339.798536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2339.798536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2339.798536 (E_RNA) where: Base-Base interactions energy: -1595.071 where: short stacking energy: -674.307 Base-Backbone interact. energy: -1.073 local terms energy: -743.654851 where: bonds (distance) C4'-P energy: -153.977 bonds (distance) P-C4' energy: -166.608 flat angles C4'-P-C4' energy: -159.609 flat angles P-C4'-P energy: -81.957 tors. eta vs tors. theta energy: -181.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1851.384692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.384692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.384692 (E_RNA) where: Base-Base interactions energy: -1213.685 where: short stacking energy: -512.582 Base-Backbone interact. energy: -2.336 local terms energy: -635.363731 where: bonds (distance) C4'-P energy: -134.513 bonds (distance) P-C4' energy: -147.169 flat angles C4'-P-C4' energy: -164.200 flat angles P-C4'-P energy: -88.988 tors. eta vs tors. theta energy: -100.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -1700.361594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.361594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.361594 (E_RNA) where: Base-Base interactions energy: -1113.836 where: short stacking energy: -497.434 Base-Backbone interact. energy: -1.370 local terms energy: -585.154908 where: bonds (distance) C4'-P energy: -130.963 bonds (distance) P-C4' energy: -167.409 flat angles C4'-P-C4' energy: -134.848 flat angles P-C4'-P energy: -68.601 tors. eta vs tors. theta energy: -83.335 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: 10 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -1130.786444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.786444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.786444 (E_RNA) where: Base-Base interactions energy: -602.592 where: short stacking energy: -324.576 Base-Backbone interact. energy: -6.691 local terms energy: -521.503818 where: bonds (distance) C4'-P energy: -149.464 bonds (distance) P-C4' energy: -153.152 flat angles C4'-P-C4' energy: -116.571 flat angles P-C4'-P energy: -91.588 tors. eta vs tors. theta energy: -10.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -3360.850359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3360.850359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3360.850359 (E_RNA) where: Base-Base interactions energy: -2377.970 where: short stacking energy: -950.899 Base-Backbone interact. energy: -2.916 local terms energy: -979.963913 where: bonds (distance) C4'-P energy: -180.761 bonds (distance) P-C4' energy: -181.842 flat angles C4'-P-C4' energy: -202.077 flat angles P-C4'-P energy: -139.101 tors. eta vs tors. theta energy: -276.183 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: 2, replica: 2 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -3272.553614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3272.553614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3272.553614 (E_RNA) where: Base-Base interactions energy: -2296.126 where: short stacking energy: -953.985 Base-Backbone interact. energy: -3.425 local terms energy: -973.002735 where: bonds (distance) C4'-P energy: -175.931 bonds (distance) P-C4' energy: -176.534 flat angles C4'-P-C4' energy: -203.428 flat angles P-C4'-P energy: -142.176 tors. eta vs tors. theta energy: -274.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -3110.076278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3110.076278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3110.076278 (E_RNA) where: Base-Base interactions energy: -2185.649 where: short stacking energy: -926.539 Base-Backbone interact. energy: 0.042 local terms energy: -924.469399 where: bonds (distance) C4'-P energy: -157.803 bonds (distance) P-C4' energy: -169.314 flat angles C4'-P-C4' energy: -191.993 flat angles P-C4'-P energy: -137.284 tors. eta vs tors. theta energy: -268.076 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: 4, replica: 8 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -2863.042965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2863.042965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2863.042965 (E_RNA) where: Base-Base interactions energy: -1985.394 where: short stacking energy: -838.430 Base-Backbone interact. energy: -5.774 local terms energy: -871.875272 where: bonds (distance) C4'-P energy: -155.063 bonds (distance) P-C4' energy: -166.442 flat angles C4'-P-C4' energy: -189.012 flat angles P-C4'-P energy: -132.593 tors. eta vs tors. theta energy: -228.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -2793.849048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.849048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.849048 (E_RNA) where: Base-Base interactions energy: -1922.153 where: short stacking energy: -801.243 Base-Backbone interact. energy: -1.073 local terms energy: -870.622809 where: bonds (distance) C4'-P energy: -165.704 bonds (distance) P-C4' energy: -169.687 flat angles C4'-P-C4' energy: -181.418 flat angles P-C4'-P energy: -124.924 tors. eta vs tors. theta energy: -228.890 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: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -2629.101864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2629.101864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2629.101864 (E_RNA) where: Base-Base interactions energy: -1806.484 where: short stacking energy: -790.293 Base-Backbone interact. energy: 2.701 local terms energy: -825.318738 where: bonds (distance) C4'-P energy: -149.976 bonds (distance) P-C4' energy: -173.587 flat angles C4'-P-C4' energy: -175.631 flat angles P-C4'-P energy: -98.742 tors. eta vs tors. theta energy: -227.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -2353.035580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2353.035580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2353.035580 (E_RNA) where: Base-Base interactions energy: -1606.537 where: short stacking energy: -694.494 Base-Backbone interact. energy: -1.083 local terms energy: -745.414899 where: bonds (distance) C4'-P energy: -154.264 bonds (distance) P-C4' energy: -158.675 flat angles C4'-P-C4' energy: -154.456 flat angles P-C4'-P energy: -89.695 tors. eta vs tors. theta energy: -188.325 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: 8, replica: 9 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1860.164163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.164163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.164163 (E_RNA) where: Base-Base interactions energy: -1216.086 where: short stacking energy: -529.794 Base-Backbone interact. energy: -2.484 local terms energy: -641.593969 where: bonds (distance) C4'-P energy: -168.279 bonds (distance) P-C4' energy: -137.936 flat angles C4'-P-C4' energy: -139.165 flat angles P-C4'-P energy: -92.326 tors. eta vs tors. theta energy: -103.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -1681.938652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.938652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.938652 (E_RNA) where: Base-Base interactions energy: -1087.930 where: short stacking energy: -483.323 Base-Backbone interact. energy: -3.999 local terms energy: -590.009836 where: bonds (distance) C4'-P energy: -143.374 bonds (distance) P-C4' energy: -154.108 flat angles C4'-P-C4' energy: -140.363 flat angles P-C4'-P energy: -70.338 tors. eta vs tors. theta energy: -81.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -1180.245821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.245821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.245821 (E_RNA) where: Base-Base interactions energy: -689.778 where: short stacking energy: -346.683 Base-Backbone interact. energy: 3.844 local terms energy: -494.311860 where: bonds (distance) C4'-P energy: -131.822 bonds (distance) P-C4' energy: -127.873 flat angles C4'-P-C4' energy: -129.276 flat angles P-C4'-P energy: -82.263 tors. eta vs tors. theta energy: -23.077 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: 6 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -3346.049442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3346.049442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3346.049442 (E_RNA) where: Base-Base interactions energy: -2349.135 where: short stacking energy: -985.576 Base-Backbone interact. energy: -6.938 local terms energy: -989.976243 where: bonds (distance) C4'-P energy: -182.787 bonds (distance) P-C4' energy: -178.944 flat angles C4'-P-C4' energy: -207.925 flat angles P-C4'-P energy: -137.347 tors. eta vs tors. theta energy: -282.973 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: 2 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -3257.128569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3257.128569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3257.128569 (E_RNA) where: Base-Base interactions energy: -2302.325 where: short stacking energy: -951.591 Base-Backbone interact. energy: -3.561 local terms energy: -951.243187 where: bonds (distance) C4'-P energy: -180.728 bonds (distance) P-C4' energy: -170.769 flat angles C4'-P-C4' energy: -200.953 flat angles P-C4'-P energy: -121.951 tors. eta vs tors. theta energy: -276.843 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: 476 Temperature: 1.000000 Total energy: -3066.762594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3066.762594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3066.762594 (E_RNA) where: Base-Base interactions energy: -2139.628 where: short stacking energy: -896.291 Base-Backbone interact. energy: -1.212 local terms energy: -925.922509 where: bonds (distance) C4'-P energy: -163.234 bonds (distance) P-C4' energy: -187.439 flat angles C4'-P-C4' energy: -188.592 flat angles P-C4'-P energy: -131.921 tors. eta vs tors. theta energy: -254.737 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: 8 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -2914.729047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2914.729047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2914.729047 (E_RNA) where: Base-Base interactions energy: -1997.691 where: short stacking energy: -867.758 Base-Backbone interact. energy: -4.973 local terms energy: -912.065623 where: bonds (distance) C4'-P energy: -161.939 bonds (distance) P-C4' energy: -184.939 flat angles C4'-P-C4' energy: -194.067 flat angles P-C4'-P energy: -120.701 tors. eta vs tors. theta energy: -250.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -2766.875362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.875362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.875362 (E_RNA) where: Base-Base interactions energy: -1933.418 where: short stacking energy: -853.803 Base-Backbone interact. energy: 0.090 local terms energy: -833.547618 where: bonds (distance) C4'-P energy: -155.614 bonds (distance) P-C4' energy: -144.528 flat angles C4'-P-C4' energy: -189.278 flat angles P-C4'-P energy: -119.452 tors. eta vs tors. theta energy: -224.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -2574.092375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2574.092375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2574.092375 (E_RNA) where: Base-Base interactions energy: -1765.026 where: short stacking energy: -743.149 Base-Backbone interact. energy: -3.831 local terms energy: -805.235363 where: bonds (distance) C4'-P energy: -145.838 bonds (distance) P-C4' energy: -170.345 flat angles C4'-P-C4' energy: -179.812 flat angles P-C4'-P energy: -102.318 tors. eta vs tors. theta energy: -206.922 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: 476 Temperature: 1.200000 Total energy: -2343.776814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2343.776814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2343.776814 (E_RNA) where: Base-Base interactions energy: -1609.466 where: short stacking energy: -694.747 Base-Backbone interact. energy: -4.070 local terms energy: -730.241696 where: bonds (distance) C4'-P energy: -146.968 bonds (distance) P-C4' energy: -153.798 flat angles C4'-P-C4' energy: -144.894 flat angles P-C4'-P energy: -94.941 tors. eta vs tors. theta energy: -189.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1882.204534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.204534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.204534 (E_RNA) where: Base-Base interactions energy: -1229.145 where: short stacking energy: -534.381 Base-Backbone interact. energy: 0.005 local terms energy: -653.064233 where: bonds (distance) C4'-P energy: -132.874 bonds (distance) P-C4' energy: -162.715 flat angles C4'-P-C4' energy: -149.048 flat angles P-C4'-P energy: -98.199 tors. eta vs tors. theta energy: -110.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -1720.886011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.886011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.886011 (E_RNA) where: Base-Base interactions energy: -1111.160 where: short stacking energy: -479.702 Base-Backbone interact. energy: -2.909 local terms energy: -606.817658 where: bonds (distance) C4'-P energy: -141.670 bonds (distance) P-C4' energy: -158.219 flat angles C4'-P-C4' energy: -127.511 flat angles P-C4'-P energy: -88.616 tors. eta vs tors. theta energy: -90.801 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: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -1228.520978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.520978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.520978 (E_RNA) where: Base-Base interactions energy: -692.703 where: short stacking energy: -339.718 Base-Backbone interact. energy: 7.130 local terms energy: -542.947424 where: bonds (distance) C4'-P energy: -166.825 bonds (distance) P-C4' energy: -156.140 flat angles C4'-P-C4' energy: -119.029 flat angles P-C4'-P energy: -87.256 tors. eta vs tors. theta energy: -13.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -3390.276827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3390.276827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3390.276827 (E_RNA) where: Base-Base interactions energy: -2396.580 where: short stacking energy: -965.579 Base-Backbone interact. energy: -4.822 local terms energy: -988.874686 where: bonds (distance) C4'-P energy: -185.593 bonds (distance) P-C4' energy: -172.565 flat angles C4'-P-C4' energy: -198.141 flat angles P-C4'-P energy: -148.654 tors. eta vs tors. theta energy: -283.921 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: 2, replica: 2 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -3256.109230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3256.109230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3256.109230 (E_RNA) where: Base-Base interactions energy: -2314.472 where: short stacking energy: -961.339 Base-Backbone interact. energy: 1.074 local terms energy: -942.711760 where: bonds (distance) C4'-P energy: -161.798 bonds (distance) P-C4' energy: -170.454 flat angles C4'-P-C4' energy: -206.888 flat angles P-C4'-P energy: -134.555 tors. eta vs tors. theta energy: -269.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -3088.150107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.150107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.150107 (E_RNA) where: Base-Base interactions energy: -2181.748 where: short stacking energy: -912.114 Base-Backbone interact. energy: -5.214 local terms energy: -901.188407 where: bonds (distance) C4'-P energy: -159.628 bonds (distance) P-C4' energy: -169.517 flat angles C4'-P-C4' energy: -193.549 flat angles P-C4'-P energy: -124.038 tors. eta vs tors. theta energy: -254.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -2909.119319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2909.119319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2909.119319 (E_RNA) where: Base-Base interactions energy: -2033.094 where: short stacking energy: -850.161 Base-Backbone interact. energy: 3.352 local terms energy: -879.377519 where: bonds (distance) C4'-P energy: -173.893 bonds (distance) P-C4' energy: -156.058 flat angles C4'-P-C4' energy: -190.522 flat angles P-C4'-P energy: -125.003 tors. eta vs tors. theta energy: -233.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -2775.999967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.999967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.999967 (E_RNA) where: Base-Base interactions energy: -1920.559 where: short stacking energy: -818.290 Base-Backbone interact. energy: 0.863 local terms energy: -856.304650 where: bonds (distance) C4'-P energy: -172.001 bonds (distance) P-C4' energy: -163.085 flat angles C4'-P-C4' energy: -193.481 flat angles P-C4'-P energy: -108.695 tors. eta vs tors. theta energy: -219.042 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: 4 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -2609.083067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2609.083067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2609.083067 (E_RNA) where: Base-Base interactions energy: -1834.208 where: short stacking energy: -787.743 Base-Backbone interact. energy: -5.067 local terms energy: -769.808272 where: bonds (distance) C4'-P energy: -138.852 bonds (distance) P-C4' energy: -136.814 flat angles C4'-P-C4' energy: -172.604 flat angles P-C4'-P energy: -103.083 tors. eta vs tors. theta energy: -218.456 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: 477 Temperature: 1.200000 Total energy: -2335.426572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2335.426572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2335.426572 (E_RNA) where: Base-Base interactions energy: -1588.797 where: short stacking energy: -668.501 Base-Backbone interact. energy: 1.823 local terms energy: -748.452616 where: bonds (distance) C4'-P energy: -142.423 bonds (distance) P-C4' energy: -156.287 flat angles C4'-P-C4' energy: -168.282 flat angles P-C4'-P energy: -114.854 tors. eta vs tors. theta energy: -166.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1794.578621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.578621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.578621 (E_RNA) where: Base-Base interactions energy: -1198.990 where: short stacking energy: -547.731 Base-Backbone interact. energy: 0.629 local terms energy: -596.217735 where: bonds (distance) C4'-P energy: -128.377 bonds (distance) P-C4' energy: -136.117 flat angles C4'-P-C4' energy: -121.645 flat angles P-C4'-P energy: -104.944 tors. eta vs tors. theta energy: -105.134 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: 5 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -1705.015500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.015500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.015500 (E_RNA) where: Base-Base interactions energy: -1080.158 where: short stacking energy: -487.422 Base-Backbone interact. energy: -2.717 local terms energy: -622.140401 where: bonds (distance) C4'-P energy: -149.450 bonds (distance) P-C4' energy: -134.884 flat angles C4'-P-C4' energy: -148.333 flat angles P-C4'-P energy: -106.491 tors. eta vs tors. theta energy: -82.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -1339.147192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.147192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.147192 (E_RNA) where: Base-Base interactions energy: -761.125 where: short stacking energy: -378.623 Base-Backbone interact. energy: 3.725 local terms energy: -581.747295 where: bonds (distance) C4'-P energy: -146.298 bonds (distance) P-C4' energy: -153.657 flat angles C4'-P-C4' energy: -154.516 flat angles P-C4'-P energy: -88.472 tors. eta vs tors. theta energy: -38.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -3361.792209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3361.792209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3361.792209 (E_RNA) where: Base-Base interactions energy: -2366.852 where: short stacking energy: -975.329 Base-Backbone interact. energy: -3.899 local terms energy: -991.041374 where: bonds (distance) C4'-P energy: -173.178 bonds (distance) P-C4' energy: -195.505 flat angles C4'-P-C4' energy: -201.858 flat angles P-C4'-P energy: -142.634 tors. eta vs tors. theta energy: -277.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -3221.360221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3221.360221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3221.360221 (E_RNA) where: Base-Base interactions energy: -2281.773 where: short stacking energy: -942.595 Base-Backbone interact. energy: 1.498 local terms energy: -941.084683 where: bonds (distance) C4'-P energy: -180.998 bonds (distance) P-C4' energy: -163.066 flat angles C4'-P-C4' energy: -200.709 flat angles P-C4'-P energy: -119.721 tors. eta vs tors. theta energy: -276.590 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: 1 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -3094.735098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.735098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.735098 (E_RNA) where: Base-Base interactions energy: -2144.677 where: short stacking energy: -912.740 Base-Backbone interact. energy: -2.251 local terms energy: -947.807353 where: bonds (distance) C4'-P energy: -183.474 bonds (distance) P-C4' energy: -167.403 flat angles C4'-P-C4' energy: -200.987 flat angles P-C4'-P energy: -127.169 tors. eta vs tors. theta energy: -268.774 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: 4, replica: 8 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -2862.048255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2862.048255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2862.048255 (E_RNA) where: Base-Base interactions energy: -2017.589 where: short stacking energy: -814.515 Base-Backbone interact. energy: -3.024 local terms energy: -841.435300 where: bonds (distance) C4'-P energy: -159.375 bonds (distance) P-C4' energy: -147.403 flat angles C4'-P-C4' energy: -189.953 flat angles P-C4'-P energy: -101.549 tors. eta vs tors. theta energy: -243.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -2787.265580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2787.265580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2787.265580 (E_RNA) where: Base-Base interactions energy: -1919.908 where: short stacking energy: -812.411 Base-Backbone interact. energy: -3.629 local terms energy: -863.728099 where: bonds (distance) C4'-P energy: -144.221 bonds (distance) P-C4' energy: -161.462 flat angles C4'-P-C4' energy: -198.265 flat angles P-C4'-P energy: -131.905 tors. eta vs tors. theta energy: -227.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -2648.976373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.976373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.976373 (E_RNA) where: Base-Base interactions energy: -1836.778 where: short stacking energy: -769.855 Base-Backbone interact. energy: 0.506 local terms energy: -812.703811 where: bonds (distance) C4'-P energy: -149.152 bonds (distance) P-C4' energy: -161.600 flat angles C4'-P-C4' energy: -179.281 flat angles P-C4'-P energy: -104.734 tors. eta vs tors. theta energy: -217.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -2352.001690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2352.001690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2352.001690 (E_RNA) where: Base-Base interactions energy: -1602.317 where: short stacking energy: -689.257 Base-Backbone interact. energy: -3.686 local terms energy: -745.999439 where: bonds (distance) C4'-P energy: -128.372 bonds (distance) P-C4' energy: -149.401 flat angles C4'-P-C4' energy: -179.732 flat angles P-C4'-P energy: -97.827 tors. eta vs tors. theta energy: -190.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1881.031926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.031926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.031926 (E_RNA) where: Base-Base interactions energy: -1208.144 where: short stacking energy: -560.732 Base-Backbone interact. energy: -1.464 local terms energy: -671.423534 where: bonds (distance) C4'-P energy: -154.662 bonds (distance) P-C4' energy: -138.514 flat angles C4'-P-C4' energy: -163.189 flat angles P-C4'-P energy: -110.629 tors. eta vs tors. theta energy: -104.430 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: 9, replica: 5 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -1711.682911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.682911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.682911 (E_RNA) where: Base-Base interactions energy: -1095.008 where: short stacking energy: -488.550 Base-Backbone interact. energy: -2.299 local terms energy: -614.375518 where: bonds (distance) C4'-P energy: -151.729 bonds (distance) P-C4' energy: -153.785 flat angles C4'-P-C4' energy: -136.517 flat angles P-C4'-P energy: -79.724 tors. eta vs tors. theta energy: -92.619 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: 478 Temperature: 1.350000 Total energy: -1318.291831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.291831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.291831 (E_RNA) where: Base-Base interactions energy: -814.324 where: short stacking energy: -394.451 Base-Backbone interact. energy: 0.650 local terms energy: -504.618415 where: bonds (distance) C4'-P energy: -135.206 bonds (distance) P-C4' energy: -148.704 flat angles C4'-P-C4' energy: -114.277 flat angles P-C4'-P energy: -67.394 tors. eta vs tors. theta energy: -39.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -3377.520662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3377.520662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3377.520662 (E_RNA) where: Base-Base interactions energy: -2360.007 where: short stacking energy: -979.721 Base-Backbone interact. energy: -6.120 local terms energy: -1011.393952 where: bonds (distance) C4'-P energy: -168.223 bonds (distance) P-C4' energy: -202.796 flat angles C4'-P-C4' energy: -222.108 flat angles P-C4'-P energy: -139.535 tors. eta vs tors. theta energy: -278.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -3225.221372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.221372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.221372 (E_RNA) where: Base-Base interactions energy: -2300.081 where: short stacking energy: -943.091 Base-Backbone interact. energy: -2.352 local terms energy: -922.788194 where: bonds (distance) C4'-P energy: -166.024 bonds (distance) P-C4' energy: -167.694 flat angles C4'-P-C4' energy: -195.611 flat angles P-C4'-P energy: -126.164 tors. eta vs tors. theta energy: -267.295 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: 1 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -3053.162476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3053.162476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3053.162476 (E_RNA) where: Base-Base interactions energy: -2117.780 where: short stacking energy: -894.921 Base-Backbone interact. energy: -1.613 local terms energy: -933.768794 where: bonds (distance) C4'-P energy: -169.301 bonds (distance) P-C4' energy: -181.400 flat angles C4'-P-C4' energy: -208.954 flat angles P-C4'-P energy: -126.827 tors. eta vs tors. theta energy: -247.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -2851.851781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2851.851781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2851.851781 (E_RNA) where: Base-Base interactions energy: -2008.299 where: short stacking energy: -847.515 Base-Backbone interact. energy: -1.416 local terms energy: -842.136570 where: bonds (distance) C4'-P energy: -142.956 bonds (distance) P-C4' energy: -160.020 flat angles C4'-P-C4' energy: -197.521 flat angles P-C4'-P energy: -109.424 tors. eta vs tors. theta energy: -232.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -2782.207875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2782.207875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2782.207875 (E_RNA) where: Base-Base interactions energy: -1929.522 where: short stacking energy: -794.263 Base-Backbone interact. energy: 2.473 local terms energy: -855.158844 where: bonds (distance) C4'-P energy: -149.914 bonds (distance) P-C4' energy: -175.143 flat angles C4'-P-C4' energy: -183.273 flat angles P-C4'-P energy: -119.780 tors. eta vs tors. theta energy: -227.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -2632.876855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2632.876855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2632.876855 (E_RNA) where: Base-Base interactions energy: -1811.791 where: short stacking energy: -769.147 Base-Backbone interact. energy: -1.975 local terms energy: -819.110464 where: bonds (distance) C4'-P energy: -142.837 bonds (distance) P-C4' energy: -161.576 flat angles C4'-P-C4' energy: -181.600 flat angles P-C4'-P energy: -120.131 tors. eta vs tors. theta energy: -212.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -2334.839741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2334.839741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2334.839741 (E_RNA) where: Base-Base interactions energy: -1576.828 where: short stacking energy: -698.562 Base-Backbone interact. energy: 0.442 local terms energy: -758.453990 where: bonds (distance) C4'-P energy: -169.609 bonds (distance) P-C4' energy: -139.811 flat angles C4'-P-C4' energy: -169.196 flat angles P-C4'-P energy: -101.014 tors. eta vs tors. theta energy: -178.825 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: 9 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1853.383006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.383006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.383006 (E_RNA) where: Base-Base interactions energy: -1212.873 where: short stacking energy: -532.599 Base-Backbone interact. energy: 3.454 local terms energy: -643.963711 where: bonds (distance) C4'-P energy: -129.103 bonds (distance) P-C4' energy: -176.407 flat angles C4'-P-C4' energy: -152.057 flat angles P-C4'-P energy: -95.871 tors. eta vs tors. theta energy: -90.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -1744.873938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.873938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.873938 (E_RNA) where: Base-Base interactions energy: -1113.658 where: short stacking energy: -530.015 Base-Backbone interact. energy: -2.136 local terms energy: -629.080321 where: bonds (distance) C4'-P energy: -118.535 bonds (distance) P-C4' energy: -149.487 flat angles C4'-P-C4' energy: -155.848 flat angles P-C4'-P energy: -79.655 tors. eta vs tors. theta energy: -125.555 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: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -1320.950462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.950462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.950462 (E_RNA) where: Base-Base interactions energy: -782.807 where: short stacking energy: -398.140 Base-Backbone interact. energy: 3.861 local terms energy: -542.004407 where: bonds (distance) C4'-P energy: -132.586 bonds (distance) P-C4' energy: -152.670 flat angles C4'-P-C4' energy: -130.255 flat angles P-C4'-P energy: -85.147 tors. eta vs tors. theta energy: -41.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -3362.554999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3362.554999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3362.554999 (E_RNA) where: Base-Base interactions energy: -2373.582 where: short stacking energy: -946.721 Base-Backbone interact. energy: 1.051 local terms energy: -990.024300 where: bonds (distance) C4'-P energy: -174.261 bonds (distance) P-C4' energy: -183.619 flat angles C4'-P-C4' energy: -208.709 flat angles P-C4'-P energy: -143.960 tors. eta vs tors. theta energy: -279.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -3238.824129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3238.824129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3238.824129 (E_RNA) where: Base-Base interactions energy: -2279.713 where: short stacking energy: -946.755 Base-Backbone interact. energy: -0.084 local terms energy: -959.027171 where: bonds (distance) C4'-P energy: -164.937 bonds (distance) P-C4' energy: -186.176 flat angles C4'-P-C4' energy: -210.590 flat angles P-C4'-P energy: -128.028 tors. eta vs tors. theta energy: -269.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -3028.166971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3028.166971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3028.166971 (E_RNA) where: Base-Base interactions energy: -2119.103 where: short stacking energy: -901.222 Base-Backbone interact. energy: -1.590 local terms energy: -907.474163 where: bonds (distance) C4'-P energy: -172.502 bonds (distance) P-C4' energy: -156.716 flat angles C4'-P-C4' energy: -203.900 flat angles P-C4'-P energy: -119.309 tors. eta vs tors. theta energy: -255.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -2917.083444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2917.083444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2917.083444 (E_RNA) where: Base-Base interactions energy: -1994.811 where: short stacking energy: -848.337 Base-Backbone interact. energy: -6.097 local terms energy: -916.175008 where: bonds (distance) C4'-P energy: -164.340 bonds (distance) P-C4' energy: -169.113 flat angles C4'-P-C4' energy: -201.436 flat angles P-C4'-P energy: -124.125 tors. eta vs tors. theta energy: -257.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -2800.741903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2800.741903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2800.741903 (E_RNA) where: Base-Base interactions energy: -1954.980 where: short stacking energy: -828.548 Base-Backbone interact. energy: 3.050 local terms energy: -848.811715 where: bonds (distance) C4'-P energy: -170.096 bonds (distance) P-C4' energy: -152.992 flat angles C4'-P-C4' energy: -173.742 flat angles P-C4'-P energy: -134.631 tors. eta vs tors. theta energy: -217.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -2563.660322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2563.660322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2563.660322 (E_RNA) where: Base-Base interactions energy: -1779.302 where: short stacking energy: -746.015 Base-Backbone interact. energy: -0.215 local terms energy: -784.142686 where: bonds (distance) C4'-P energy: -135.646 bonds (distance) P-C4' energy: -158.438 flat angles C4'-P-C4' energy: -172.087 flat angles P-C4'-P energy: -112.743 tors. eta vs tors. theta energy: -205.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -2319.929842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2319.929842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2319.929842 (E_RNA) where: Base-Base interactions energy: -1556.220 where: short stacking energy: -663.971 Base-Backbone interact. energy: -2.965 local terms energy: -760.745488 where: bonds (distance) C4'-P energy: -143.719 bonds (distance) P-C4' energy: -150.645 flat angles C4'-P-C4' energy: -168.216 flat angles P-C4'-P energy: -120.272 tors. eta vs tors. theta energy: -177.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1759.709099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.709099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.709099 (E_RNA) where: Base-Base interactions energy: -1128.687 where: short stacking energy: -529.429 Base-Backbone interact. energy: -1.371 local terms energy: -629.651271 where: bonds (distance) C4'-P energy: -125.845 bonds (distance) P-C4' energy: -143.819 flat angles C4'-P-C4' energy: -159.763 flat angles P-C4'-P energy: -87.265 tors. eta vs tors. theta energy: -112.959 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: 5 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -1710.535267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.535267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.535267 (E_RNA) where: Base-Base interactions energy: -1092.610 where: short stacking energy: -498.831 Base-Backbone interact. energy: -2.158 local terms energy: -615.766418 where: bonds (distance) C4'-P energy: -154.506 bonds (distance) P-C4' energy: -133.548 flat angles C4'-P-C4' energy: -143.001 flat angles P-C4'-P energy: -99.309 tors. eta vs tors. theta energy: -85.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -1320.136856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.136856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.136856 (E_RNA) where: Base-Base interactions energy: -785.159 where: short stacking energy: -363.238 Base-Backbone interact. energy: -1.767 local terms energy: -533.211262 where: bonds (distance) C4'-P energy: -145.122 bonds (distance) P-C4' energy: -136.273 flat angles C4'-P-C4' energy: -131.934 flat angles P-C4'-P energy: -79.159 tors. eta vs tors. theta energy: -40.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -3335.333818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3335.333818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3335.333818 (E_RNA) where: Base-Base interactions energy: -2351.784 where: short stacking energy: -950.052 Base-Backbone interact. energy: -3.177 local terms energy: -980.373250 where: bonds (distance) C4'-P energy: -169.893 bonds (distance) P-C4' energy: -191.280 flat angles C4'-P-C4' energy: -200.471 flat angles P-C4'-P energy: -150.053 tors. eta vs tors. theta energy: -268.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -3255.049700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3255.049700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3255.049700 (E_RNA) where: Base-Base interactions energy: -2286.685 where: short stacking energy: -962.808 Base-Backbone interact. energy: -3.734 local terms energy: -964.630529 where: bonds (distance) C4'-P energy: -165.759 bonds (distance) P-C4' energy: -175.007 flat angles C4'-P-C4' energy: -207.043 flat angles P-C4'-P energy: -141.334 tors. eta vs tors. theta energy: -275.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -3097.187173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3097.187173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3097.187173 (E_RNA) where: Base-Base interactions energy: -2162.322 where: short stacking energy: -891.274 Base-Backbone interact. energy: -0.648 local terms energy: -934.217414 where: bonds (distance) C4'-P energy: -159.357 bonds (distance) P-C4' energy: -189.038 flat angles C4'-P-C4' energy: -199.948 flat angles P-C4'-P energy: -126.465 tors. eta vs tors. theta energy: -259.409 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: 8 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -2870.280258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2870.280258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2870.280258 (E_RNA) where: Base-Base interactions energy: -1994.543 where: short stacking energy: -816.976 Base-Backbone interact. energy: -4.334 local terms energy: -871.403425 where: bonds (distance) C4'-P energy: -175.443 bonds (distance) P-C4' energy: -148.488 flat angles C4'-P-C4' energy: -205.553 flat angles P-C4'-P energy: -121.660 tors. eta vs tors. theta energy: -220.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -2767.606584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2767.606584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2767.606584 (E_RNA) where: Base-Base interactions energy: -1904.104 where: short stacking energy: -804.130 Base-Backbone interact. energy: -5.692 local terms energy: -857.810766 where: bonds (distance) C4'-P energy: -142.989 bonds (distance) P-C4' energy: -174.128 flat angles C4'-P-C4' energy: -207.109 flat angles P-C4'-P energy: -120.680 tors. eta vs tors. theta energy: -212.904 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: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -2617.272954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2617.272954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2617.272954 (E_RNA) where: Base-Base interactions energy: -1779.745 where: short stacking energy: -765.316 Base-Backbone interact. energy: -2.985 local terms energy: -834.543299 where: bonds (distance) C4'-P energy: -156.228 bonds (distance) P-C4' energy: -157.758 flat angles C4'-P-C4' energy: -193.815 flat angles P-C4'-P energy: -118.579 tors. eta vs tors. theta energy: -208.164 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: 481 Temperature: 1.200000 Total energy: -2287.533773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2287.533773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2287.533773 (E_RNA) where: Base-Base interactions energy: -1509.685 where: short stacking energy: -638.829 Base-Backbone interact. energy: -0.410 local terms energy: -777.438320 where: bonds (distance) C4'-P energy: -157.062 bonds (distance) P-C4' energy: -176.826 flat angles C4'-P-C4' energy: -176.031 flat angles P-C4'-P energy: -108.199 tors. eta vs tors. theta energy: -159.321 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: 9 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1771.110306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.110306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.110306 (E_RNA) where: Base-Base interactions energy: -1150.647 where: short stacking energy: -517.392 Base-Backbone interact. energy: -3.698 local terms energy: -616.766183 where: bonds (distance) C4'-P energy: -149.109 bonds (distance) P-C4' energy: -158.049 flat angles C4'-P-C4' energy: -138.566 flat angles P-C4'-P energy: -100.457 tors. eta vs tors. theta energy: -70.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -1625.676258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.676258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.676258 (E_RNA) where: Base-Base interactions energy: -1045.214 where: short stacking energy: -457.999 Base-Backbone interact. energy: -4.186 local terms energy: -576.276182 where: bonds (distance) C4'-P energy: -127.758 bonds (distance) P-C4' energy: -145.932 flat angles C4'-P-C4' energy: -129.494 flat angles P-C4'-P energy: -93.128 tors. eta vs tors. theta energy: -79.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -1409.202751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.202751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.202751 (E_RNA) where: Base-Base interactions energy: -883.987 where: short stacking energy: -392.282 Base-Backbone interact. energy: -3.547 local terms energy: -521.669333 where: bonds (distance) C4'-P energy: -128.102 bonds (distance) P-C4' energy: -138.001 flat angles C4'-P-C4' energy: -123.693 flat angles P-C4'-P energy: -92.484 tors. eta vs tors. theta energy: -39.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -3349.386121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3349.386121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3349.386121 (E_RNA) where: Base-Base interactions energy: -2338.586 where: short stacking energy: -971.267 Base-Backbone interact. energy: -3.369 local terms energy: -1007.431230 where: bonds (distance) C4'-P energy: -186.703 bonds (distance) P-C4' energy: -189.236 flat angles C4'-P-C4' energy: -208.895 flat angles P-C4'-P energy: -145.804 tors. eta vs tors. theta energy: -276.793 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: 2 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -3273.236770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3273.236770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3273.236770 (E_RNA) where: Base-Base interactions energy: -2290.080 where: short stacking energy: -955.059 Base-Backbone interact. energy: -3.130 local terms energy: -980.026265 where: bonds (distance) C4'-P energy: -169.574 bonds (distance) P-C4' energy: -180.122 flat angles C4'-P-C4' energy: -203.887 flat angles P-C4'-P energy: -135.017 tors. eta vs tors. theta energy: -291.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -3062.409138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3062.409138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3062.409138 (E_RNA) where: Base-Base interactions energy: -2136.153 where: short stacking energy: -896.192 Base-Backbone interact. energy: -1.711 local terms energy: -924.544586 where: bonds (distance) C4'-P energy: -157.992 bonds (distance) P-C4' energy: -167.649 flat angles C4'-P-C4' energy: -208.476 flat angles P-C4'-P energy: -130.285 tors. eta vs tors. theta energy: -260.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -2900.390732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2900.390732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2900.390732 (E_RNA) where: Base-Base interactions energy: -2009.105 where: short stacking energy: -806.054 Base-Backbone interact. energy: -1.692 local terms energy: -889.593290 where: bonds (distance) C4'-P energy: -181.326 bonds (distance) P-C4' energy: -169.844 flat angles C4'-P-C4' energy: -190.971 flat angles P-C4'-P energy: -114.947 tors. eta vs tors. theta energy: -232.505 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: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -2784.922811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2784.922811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2784.922811 (E_RNA) where: Base-Base interactions energy: -1961.204 where: short stacking energy: -819.571 Base-Backbone interact. energy: 4.082 local terms energy: -827.800600 where: bonds (distance) C4'-P energy: -151.098 bonds (distance) P-C4' energy: -152.508 flat angles C4'-P-C4' energy: -182.277 flat angles P-C4'-P energy: -115.666 tors. eta vs tors. theta energy: -226.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -2611.031565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2611.031565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2611.031565 (E_RNA) where: Base-Base interactions energy: -1785.974 where: short stacking energy: -767.701 Base-Backbone interact. energy: 0.137 local terms energy: -825.194870 where: bonds (distance) C4'-P energy: -170.314 bonds (distance) P-C4' energy: -145.424 flat angles C4'-P-C4' energy: -175.381 flat angles P-C4'-P energy: -102.937 tors. eta vs tors. theta energy: -231.139 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: 7 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -2249.450747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2249.450747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2249.450747 (E_RNA) where: Base-Base interactions energy: -1553.451 where: short stacking energy: -662.610 Base-Backbone interact. energy: -3.497 local terms energy: -692.503251 where: bonds (distance) C4'-P energy: -114.391 bonds (distance) P-C4' energy: -123.431 flat angles C4'-P-C4' energy: -168.019 flat angles P-C4'-P energy: -100.400 tors. eta vs tors. theta energy: -186.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1843.770261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.770261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.770261 (E_RNA) where: Base-Base interactions energy: -1225.271 where: short stacking energy: -593.395 Base-Backbone interact. energy: 0.629 local terms energy: -619.127740 where: bonds (distance) C4'-P energy: -134.256 bonds (distance) P-C4' energy: -132.498 flat angles C4'-P-C4' energy: -149.591 flat angles P-C4'-P energy: -69.202 tors. eta vs tors. theta energy: -133.582 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: 9, replica: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -1699.750101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.750101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.750101 (E_RNA) where: Base-Base interactions energy: -1086.790 where: short stacking energy: -480.901 Base-Backbone interact. energy: -1.041 local terms energy: -611.919098 where: bonds (distance) C4'-P energy: -139.800 bonds (distance) P-C4' energy: -156.440 flat angles C4'-P-C4' energy: -138.892 flat angles P-C4'-P energy: -99.571 tors. eta vs tors. theta energy: -77.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -1296.953684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.953684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.953684 (E_RNA) where: Base-Base interactions energy: -745.255 where: short stacking energy: -403.645 Base-Backbone interact. energy: 2.525 local terms energy: -554.224246 where: bonds (distance) C4'-P energy: -129.624 bonds (distance) P-C4' energy: -159.899 flat angles C4'-P-C4' energy: -129.551 flat angles P-C4'-P energy: -86.762 tors. eta vs tors. theta energy: -48.388 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: 6 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -3351.883376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3351.883376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3351.883376 (E_RNA) where: Base-Base interactions energy: -2370.727 where: short stacking energy: -952.478 Base-Backbone interact. energy: -4.178 local terms energy: -976.978374 where: bonds (distance) C4'-P energy: -162.942 bonds (distance) P-C4' energy: -205.327 flat angles C4'-P-C4' energy: -187.871 flat angles P-C4'-P energy: -151.812 tors. eta vs tors. theta energy: -269.026 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: 2 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -3272.798678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3272.798678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3272.798678 (E_RNA) where: Base-Base interactions energy: -2289.685 where: short stacking energy: -957.443 Base-Backbone interact. energy: -1.427 local terms energy: -981.686853 where: bonds (distance) C4'-P energy: -175.661 bonds (distance) P-C4' energy: -176.335 flat angles C4'-P-C4' energy: -208.858 flat angles P-C4'-P energy: -142.612 tors. eta vs tors. theta energy: -278.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -3067.349520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3067.349520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3067.349520 (E_RNA) where: Base-Base interactions energy: -2101.073 where: short stacking energy: -893.429 Base-Backbone interact. energy: -2.202 local terms energy: -964.074740 where: bonds (distance) C4'-P energy: -168.660 bonds (distance) P-C4' energy: -180.098 flat angles C4'-P-C4' energy: -214.675 flat angles P-C4'-P energy: -129.965 tors. eta vs tors. theta energy: -270.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -2932.240821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2932.240821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2932.240821 (E_RNA) where: Base-Base interactions energy: -2047.936 where: short stacking energy: -840.701 Base-Backbone interact. energy: -3.134 local terms energy: -881.170104 where: bonds (distance) C4'-P energy: -176.571 bonds (distance) P-C4' energy: -160.407 flat angles C4'-P-C4' energy: -186.047 flat angles P-C4'-P energy: -120.619 tors. eta vs tors. theta energy: -237.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -2796.529254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2796.529254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2796.529254 (E_RNA) where: Base-Base interactions energy: -1935.701 where: short stacking energy: -804.508 Base-Backbone interact. energy: 0.111 local terms energy: -860.939366 where: bonds (distance) C4'-P energy: -170.943 bonds (distance) P-C4' energy: -166.542 flat angles C4'-P-C4' energy: -190.111 flat angles P-C4'-P energy: -118.242 tors. eta vs tors. theta energy: -215.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -2620.296646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2620.296646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2620.296646 (E_RNA) where: Base-Base interactions energy: -1800.480 where: short stacking energy: -773.991 Base-Backbone interact. energy: -3.408 local terms energy: -816.408717 where: bonds (distance) C4'-P energy: -156.183 bonds (distance) P-C4' energy: -155.658 flat angles C4'-P-C4' energy: -170.638 flat angles P-C4'-P energy: -118.400 tors. eta vs tors. theta energy: -215.531 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: 7 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -2269.657345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2269.657345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2269.657345 (E_RNA) where: Base-Base interactions energy: -1559.233 where: short stacking energy: -674.789 Base-Backbone interact. energy: -0.442 local terms energy: -709.982349 where: bonds (distance) C4'-P energy: -134.844 bonds (distance) P-C4' energy: -142.417 flat angles C4'-P-C4' energy: -177.772 flat angles P-C4'-P energy: -88.525 tors. eta vs tors. theta energy: -166.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1934.426609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1934.426609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1934.426609 (E_RNA) where: Base-Base interactions energy: -1240.269 where: short stacking energy: -541.111 Base-Backbone interact. energy: -0.717 local terms energy: -693.441263 where: bonds (distance) C4'-P energy: -153.404 bonds (distance) P-C4' energy: -142.434 flat angles C4'-P-C4' energy: -166.669 flat angles P-C4'-P energy: -106.820 tors. eta vs tors. theta energy: -124.114 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: 5 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -1657.736796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.736796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.736796 (E_RNA) where: Base-Base interactions energy: -1026.888 where: short stacking energy: -487.355 Base-Backbone interact. energy: -3.782 local terms energy: -627.066708 where: bonds (distance) C4'-P energy: -148.243 bonds (distance) P-C4' energy: -144.288 flat angles C4'-P-C4' energy: -136.688 flat angles P-C4'-P energy: -92.335 tors. eta vs tors. theta energy: -105.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -1305.298158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.298158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.298158 (E_RNA) where: Base-Base interactions energy: -788.880 where: short stacking energy: -395.561 Base-Backbone interact. energy: 3.335 local terms energy: -519.753558 where: bonds (distance) C4'-P energy: -145.858 bonds (distance) P-C4' energy: -134.740 flat angles C4'-P-C4' energy: -138.648 flat angles P-C4'-P energy: -67.685 tors. eta vs tors. theta energy: -32.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -3329.760981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3329.760981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3329.760981 (E_RNA) where: Base-Base interactions energy: -2334.332 where: short stacking energy: -966.772 Base-Backbone interact. energy: -0.836 local terms energy: -994.593044 where: bonds (distance) C4'-P energy: -174.957 bonds (distance) P-C4' energy: -188.059 flat angles C4'-P-C4' energy: -202.695 flat angles P-C4'-P energy: -156.233 tors. eta vs tors. theta energy: -272.649 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: 2 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -3226.495004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3226.495004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3226.495004 (E_RNA) where: Base-Base interactions energy: -2278.092 where: short stacking energy: -944.388 Base-Backbone interact. energy: 3.191 local terms energy: -951.593257 where: bonds (distance) C4'-P energy: -168.726 bonds (distance) P-C4' energy: -177.423 flat angles C4'-P-C4' energy: -197.357 flat angles P-C4'-P energy: -134.701 tors. eta vs tors. theta energy: -273.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -3037.626937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3037.626937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3037.626937 (E_RNA) where: Base-Base interactions energy: -2091.000 where: short stacking energy: -886.834 Base-Backbone interact. energy: -4.641 local terms energy: -941.985708 where: bonds (distance) C4'-P energy: -172.811 bonds (distance) P-C4' energy: -187.309 flat angles C4'-P-C4' energy: -199.277 flat angles P-C4'-P energy: -127.813 tors. eta vs tors. theta energy: -254.777 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: 484 Temperature: 1.050000 Total energy: -2897.566796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2897.566796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2897.566796 (E_RNA) where: Base-Base interactions energy: -2035.683 where: short stacking energy: -846.363 Base-Backbone interact. energy: -4.627 local terms energy: -857.256706 where: bonds (distance) C4'-P energy: -151.662 bonds (distance) P-C4' energy: -145.397 flat angles C4'-P-C4' energy: -189.931 flat angles P-C4'-P energy: -128.754 tors. eta vs tors. theta energy: -241.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -2807.808347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2807.808347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2807.808347 (E_RNA) where: Base-Base interactions energy: -1946.541 where: short stacking energy: -832.347 Base-Backbone interact. energy: 0.905 local terms energy: -862.172052 where: bonds (distance) C4'-P energy: -153.981 bonds (distance) P-C4' energy: -165.597 flat angles C4'-P-C4' energy: -198.203 flat angles P-C4'-P energy: -115.957 tors. eta vs tors. theta energy: -228.433 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: 6, replica: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -2677.937498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.937498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.937498 (E_RNA) where: Base-Base interactions energy: -1869.571 where: short stacking energy: -759.001 Base-Backbone interact. energy: -4.895 local terms energy: -803.471480 where: bonds (distance) C4'-P energy: -149.046 bonds (distance) P-C4' energy: -160.991 flat angles C4'-P-C4' energy: -180.028 flat angles P-C4'-P energy: -99.814 tors. eta vs tors. theta energy: -213.592 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: 7 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -2223.197255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2223.197255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2223.197255 (E_RNA) where: Base-Base interactions energy: -1516.710 where: short stacking energy: -656.132 Base-Backbone interact. energy: -2.831 local terms energy: -703.656869 where: bonds (distance) C4'-P energy: -155.277 bonds (distance) P-C4' energy: -154.529 flat angles C4'-P-C4' energy: -162.691 flat angles P-C4'-P energy: -73.339 tors. eta vs tors. theta energy: -157.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1879.482262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.482262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.482262 (E_RNA) where: Base-Base interactions energy: -1212.251 where: short stacking energy: -514.900 Base-Backbone interact. energy: -1.070 local terms energy: -666.161188 where: bonds (distance) C4'-P energy: -151.392 bonds (distance) P-C4' energy: -155.282 flat angles C4'-P-C4' energy: -168.628 flat angles P-C4'-P energy: -97.405 tors. eta vs tors. theta energy: -93.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -1688.636305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.636305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.636305 (E_RNA) where: Base-Base interactions energy: -1091.091 where: short stacking energy: -475.177 Base-Backbone interact. energy: -1.341 local terms energy: -596.204127 where: bonds (distance) C4'-P energy: -126.863 bonds (distance) P-C4' energy: -165.974 flat angles C4'-P-C4' energy: -145.303 flat angles P-C4'-P energy: -81.698 tors. eta vs tors. theta energy: -76.365 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: 10, replica: 10 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -1399.193344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.193344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.193344 (E_RNA) where: Base-Base interactions energy: -826.006 where: short stacking energy: -365.333 Base-Backbone interact. energy: -0.097 local terms energy: -573.090479 where: bonds (distance) C4'-P energy: -156.546 bonds (distance) P-C4' energy: -140.290 flat angles C4'-P-C4' energy: -138.137 flat angles P-C4'-P energy: -88.756 tors. eta vs tors. theta energy: -49.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -3356.380851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3356.380851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3356.380851 (E_RNA) where: Base-Base interactions energy: -2367.347 where: short stacking energy: -977.844 Base-Backbone interact. energy: -1.627 local terms energy: -987.407274 where: bonds (distance) C4'-P energy: -169.491 bonds (distance) P-C4' energy: -194.775 flat angles C4'-P-C4' energy: -197.933 flat angles P-C4'-P energy: -144.477 tors. eta vs tors. theta energy: -280.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -3253.952190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3253.952190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3253.952190 (E_RNA) where: Base-Base interactions energy: -2280.999 where: short stacking energy: -951.097 Base-Backbone interact. energy: -1.245 local terms energy: -971.708577 where: bonds (distance) C4'-P energy: -176.898 bonds (distance) P-C4' energy: -187.430 flat angles C4'-P-C4' energy: -191.548 flat angles P-C4'-P energy: -133.488 tors. eta vs tors. theta energy: -282.344 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: 1 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -3087.886417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3087.886417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3087.886417 (E_RNA) where: Base-Base interactions energy: -2149.323 where: short stacking energy: -892.577 Base-Backbone interact. energy: -3.631 local terms energy: -934.932538 where: bonds (distance) C4'-P energy: -177.438 bonds (distance) P-C4' energy: -164.395 flat angles C4'-P-C4' energy: -188.239 flat angles P-C4'-P energy: -145.059 tors. eta vs tors. theta energy: -259.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -2960.794456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2960.794456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2960.794456 (E_RNA) where: Base-Base interactions energy: -2062.405 where: short stacking energy: -826.054 Base-Backbone interact. energy: -4.556 local terms energy: -893.833804 where: bonds (distance) C4'-P energy: -151.005 bonds (distance) P-C4' energy: -162.493 flat angles C4'-P-C4' energy: -195.309 flat angles P-C4'-P energy: -126.390 tors. eta vs tors. theta energy: -258.637 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: 5, replica: 3 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -2775.529989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2775.529989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2775.529989 (E_RNA) where: Base-Base interactions energy: -1930.917 where: short stacking energy: -818.149 Base-Backbone interact. energy: 0.423 local terms energy: -845.035859 where: bonds (distance) C4'-P energy: -144.551 bonds (distance) P-C4' energy: -167.368 flat angles C4'-P-C4' energy: -202.549 flat angles P-C4'-P energy: -103.133 tors. eta vs tors. theta energy: -227.436 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: 4 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -2687.064657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2687.064657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2687.064657 (E_RNA) where: Base-Base interactions energy: -1902.346 where: short stacking energy: -781.191 Base-Backbone interact. energy: -1.200 local terms energy: -783.517934 where: bonds (distance) C4'-P energy: -135.787 bonds (distance) P-C4' energy: -154.182 flat angles C4'-P-C4' energy: -176.445 flat angles P-C4'-P energy: -103.535 tors. eta vs tors. theta energy: -213.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -2225.961660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2225.961660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2225.961660 (E_RNA) where: Base-Base interactions energy: -1488.983 where: short stacking energy: -658.082 Base-Backbone interact. energy: -1.390 local terms energy: -735.588679 where: bonds (distance) C4'-P energy: -152.336 bonds (distance) P-C4' energy: -157.383 flat angles C4'-P-C4' energy: -165.286 flat angles P-C4'-P energy: -96.255 tors. eta vs tors. theta energy: -164.329 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: 8, replica: 9 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1988.256286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1988.256286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1988.256286 (E_RNA) where: Base-Base interactions energy: -1307.186 where: short stacking energy: -575.428 Base-Backbone interact. energy: 0.330 local terms energy: -681.401143 where: bonds (distance) C4'-P energy: -144.352 bonds (distance) P-C4' energy: -132.399 flat angles C4'-P-C4' energy: -172.139 flat angles P-C4'-P energy: -93.915 tors. eta vs tors. theta energy: -138.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -1703.656922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.656922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.656922 (E_RNA) where: Base-Base interactions energy: -1052.921 where: short stacking energy: -463.679 Base-Backbone interact. energy: 6.801 local terms energy: -657.536768 where: bonds (distance) C4'-P energy: -152.299 bonds (distance) P-C4' energy: -171.498 flat angles C4'-P-C4' energy: -158.231 flat angles P-C4'-P energy: -99.029 tors. eta vs tors. theta energy: -76.480 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: 10, replica: 10 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -1301.948731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.948731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.948731 (E_RNA) where: Base-Base interactions energy: -797.175 where: short stacking energy: -402.499 Base-Backbone interact. energy: -0.407 local terms energy: -504.366267 where: bonds (distance) C4'-P energy: -131.827 bonds (distance) P-C4' energy: -132.635 flat angles C4'-P-C4' energy: -115.604 flat angles P-C4'-P energy: -77.411 tors. eta vs tors. theta energy: -46.889 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: 1, replica: 6 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -3394.661880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3394.661880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3394.661880 (E_RNA) where: Base-Base interactions energy: -2415.141 where: short stacking energy: -991.501 Base-Backbone interact. energy: -4.200 local terms energy: -975.320801 where: bonds (distance) C4'-P energy: -168.701 bonds (distance) P-C4' energy: -181.060 flat angles C4'-P-C4' energy: -208.844 flat angles P-C4'-P energy: -132.056 tors. eta vs tors. theta energy: -284.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -3254.252234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3254.252234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3254.252234 (E_RNA) where: Base-Base interactions energy: -2276.975 where: short stacking energy: -952.282 Base-Backbone interact. energy: -0.425 local terms energy: -976.851548 where: bonds (distance) C4'-P energy: -185.605 bonds (distance) P-C4' energy: -167.694 flat angles C4'-P-C4' energy: -216.374 flat angles P-C4'-P energy: -132.730 tors. eta vs tors. theta energy: -274.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -3094.174264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3094.174264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3094.174264 (E_RNA) where: Base-Base interactions energy: -2165.028 where: short stacking energy: -883.332 Base-Backbone interact. energy: -2.067 local terms energy: -927.078961 where: bonds (distance) C4'-P energy: -183.468 bonds (distance) P-C4' energy: -179.333 flat angles C4'-P-C4' energy: -183.081 flat angles P-C4'-P energy: -129.145 tors. eta vs tors. theta energy: -252.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -2930.263229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2930.263229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2930.263229 (E_RNA) where: Base-Base interactions energy: -2052.886 where: short stacking energy: -853.090 Base-Backbone interact. energy: -2.060 local terms energy: -875.316584 where: bonds (distance) C4'-P energy: -156.978 bonds (distance) P-C4' energy: -160.324 flat angles C4'-P-C4' energy: -186.679 flat angles P-C4'-P energy: -125.475 tors. eta vs tors. theta energy: -245.860 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: 4 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -2809.871339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2809.871339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2809.871339 (E_RNA) where: Base-Base interactions energy: -1906.555 where: short stacking energy: -812.271 Base-Backbone interact. energy: 0.356 local terms energy: -903.672633 where: bonds (distance) C4'-P energy: -161.890 bonds (distance) P-C4' energy: -181.019 flat angles C4'-P-C4' energy: -188.625 flat angles P-C4'-P energy: -134.666 tors. eta vs tors. theta energy: -237.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -2746.694673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.694673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.694673 (E_RNA) where: Base-Base interactions energy: -1912.444 where: short stacking energy: -813.825 Base-Backbone interact. energy: -2.429 local terms energy: -831.821586 where: bonds (distance) C4'-P energy: -152.533 bonds (distance) P-C4' energy: -147.551 flat angles C4'-P-C4' energy: -188.134 flat angles P-C4'-P energy: -113.863 tors. eta vs tors. theta energy: -229.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -2145.839545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2145.839545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2145.839545 (E_RNA) where: Base-Base interactions energy: -1406.763 where: short stacking energy: -605.559 Base-Backbone interact. energy: -5.684 local terms energy: -733.392576 where: bonds (distance) C4'-P energy: -155.571 bonds (distance) P-C4' energy: -157.991 flat angles C4'-P-C4' energy: -176.910 flat angles P-C4'-P energy: -107.113 tors. eta vs tors. theta energy: -135.807 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: 9 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1838.071019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.071019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.071019 (E_RNA) where: Base-Base interactions energy: -1230.273 where: short stacking energy: -548.139 Base-Backbone interact. energy: 5.058 local terms energy: -612.856356 where: bonds (distance) C4'-P energy: -127.582 bonds (distance) P-C4' energy: -134.911 flat angles C4'-P-C4' energy: -139.688 flat angles P-C4'-P energy: -91.669 tors. eta vs tors. theta energy: -119.007 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: 5 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -1725.389119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.389119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.389119 (E_RNA) where: Base-Base interactions energy: -1130.637 where: short stacking energy: -473.883 Base-Backbone interact. energy: 5.099 local terms energy: -599.850822 where: bonds (distance) C4'-P energy: -141.746 bonds (distance) P-C4' energy: -142.322 flat angles C4'-P-C4' energy: -147.294 flat angles P-C4'-P energy: -77.079 tors. eta vs tors. theta energy: -91.410 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: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -1380.374401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.374401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.374401 (E_RNA) where: Base-Base interactions energy: -835.303 where: short stacking energy: -385.976 Base-Backbone interact. energy: 0.932 local terms energy: -546.003867 where: bonds (distance) C4'-P energy: -126.984 bonds (distance) P-C4' energy: -145.797 flat angles C4'-P-C4' energy: -128.490 flat angles P-C4'-P energy: -86.285 tors. eta vs tors. theta energy: -58.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -3371.014406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3371.014406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3371.014406 (E_RNA) where: Base-Base interactions energy: -2342.291 where: short stacking energy: -989.858 Base-Backbone interact. energy: -3.696 local terms energy: -1025.027140 where: bonds (distance) C4'-P energy: -188.685 bonds (distance) P-C4' energy: -188.394 flat angles C4'-P-C4' energy: -211.952 flat angles P-C4'-P energy: -151.324 tors. eta vs tors. theta energy: -284.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -3208.080166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3208.080166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3208.080166 (E_RNA) where: Base-Base interactions energy: -2256.731 where: short stacking energy: -943.318 Base-Backbone interact. energy: -3.678 local terms energy: -947.671060 where: bonds (distance) C4'-P energy: -181.760 bonds (distance) P-C4' energy: -159.615 flat angles C4'-P-C4' energy: -205.592 flat angles P-C4'-P energy: -128.804 tors. eta vs tors. theta energy: -271.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -3042.703559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.703559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.703559 (E_RNA) where: Base-Base interactions energy: -2135.661 where: short stacking energy: -894.836 Base-Backbone interact. energy: -2.432 local terms energy: -904.610916 where: bonds (distance) C4'-P energy: -161.128 bonds (distance) P-C4' energy: -157.429 flat angles C4'-P-C4' energy: -200.168 flat angles P-C4'-P energy: -127.167 tors. eta vs tors. theta energy: -258.719 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: 8 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -2966.189467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2966.189467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2966.189467 (E_RNA) where: Base-Base interactions energy: -2068.132 where: short stacking energy: -863.852 Base-Backbone interact. energy: -6.207 local terms energy: -891.850242 where: bonds (distance) C4'-P energy: -175.345 bonds (distance) P-C4' energy: -153.916 flat angles C4'-P-C4' energy: -192.768 flat angles P-C4'-P energy: -113.357 tors. eta vs tors. theta energy: -256.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -2779.949191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.949191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.949191 (E_RNA) where: Base-Base interactions energy: -1934.993 where: short stacking energy: -799.185 Base-Backbone interact. energy: -3.511 local terms energy: -841.444450 where: bonds (distance) C4'-P energy: -159.978 bonds (distance) P-C4' energy: -146.777 flat angles C4'-P-C4' energy: -181.271 flat angles P-C4'-P energy: -122.194 tors. eta vs tors. theta energy: -231.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -2742.144599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2742.144599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2742.144599 (E_RNA) where: Base-Base interactions energy: -1897.282 where: short stacking energy: -828.323 Base-Backbone interact. energy: -1.498 local terms energy: -843.364704 where: bonds (distance) C4'-P energy: -155.626 bonds (distance) P-C4' energy: -162.560 flat angles C4'-P-C4' energy: -179.648 flat angles P-C4'-P energy: -109.680 tors. eta vs tors. theta energy: -235.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -2138.659011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.659011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.659011 (E_RNA) where: Base-Base interactions energy: -1440.233 where: short stacking energy: -621.439 Base-Backbone interact. energy: -0.892 local terms energy: -697.533993 where: bonds (distance) C4'-P energy: -134.536 bonds (distance) P-C4' energy: -141.138 flat angles C4'-P-C4' energy: -182.427 flat angles P-C4'-P energy: -103.432 tors. eta vs tors. theta energy: -136.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1856.712728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.712728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.712728 (E_RNA) where: Base-Base interactions energy: -1232.417 where: short stacking energy: -551.669 Base-Backbone interact. energy: 0.350 local terms energy: -624.646234 where: bonds (distance) C4'-P energy: -148.925 bonds (distance) P-C4' energy: -139.476 flat angles C4'-P-C4' energy: -146.516 flat angles P-C4'-P energy: -80.996 tors. eta vs tors. theta energy: -108.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -1777.989247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.989247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.989247 (E_RNA) where: Base-Base interactions energy: -1163.541 where: short stacking energy: -488.460 Base-Backbone interact. energy: -0.049 local terms energy: -614.399623 where: bonds (distance) C4'-P energy: -146.580 bonds (distance) P-C4' energy: -129.161 flat angles C4'-P-C4' energy: -152.843 flat angles P-C4'-P energy: -100.696 tors. eta vs tors. theta energy: -85.119 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: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -1304.530554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.530554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.530554 (E_RNA) where: Base-Base interactions energy: -796.090 where: short stacking energy: -383.324 Base-Backbone interact. energy: -2.465 local terms energy: -505.975707 where: bonds (distance) C4'-P energy: -111.371 bonds (distance) P-C4' energy: -143.140 flat angles C4'-P-C4' energy: -111.284 flat angles P-C4'-P energy: -90.991 tors. eta vs tors. theta energy: -49.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -3345.074641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3345.074641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3345.074641 (E_RNA) where: Base-Base interactions energy: -2327.087 where: short stacking energy: -963.651 Base-Backbone interact. energy: -4.087 local terms energy: -1013.900668 where: bonds (distance) C4'-P energy: -195.147 bonds (distance) P-C4' energy: -176.454 flat angles C4'-P-C4' energy: -210.214 flat angles P-C4'-P energy: -153.785 tors. eta vs tors. theta energy: -278.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -3232.734325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3232.734325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3232.734325 (E_RNA) where: Base-Base interactions energy: -2279.183 where: short stacking energy: -954.076 Base-Backbone interact. energy: -3.344 local terms energy: -950.206935 where: bonds (distance) C4'-P energy: -164.583 bonds (distance) P-C4' energy: -167.583 flat angles C4'-P-C4' energy: -202.245 flat angles P-C4'-P energy: -142.768 tors. eta vs tors. theta energy: -273.028 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: 1 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -3020.894064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3020.894064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3020.894064 (E_RNA) where: Base-Base interactions energy: -2149.205 where: short stacking energy: -896.537 Base-Backbone interact. energy: -2.309 local terms energy: -869.380301 where: bonds (distance) C4'-P energy: -140.113 bonds (distance) P-C4' energy: -173.577 flat angles C4'-P-C4' energy: -195.975 flat angles P-C4'-P energy: -109.761 tors. eta vs tors. theta energy: -249.954 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: 488 Temperature: 1.050000 Total energy: -2903.107831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2903.107831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2903.107831 (E_RNA) where: Base-Base interactions energy: -2021.601 where: short stacking energy: -853.981 Base-Backbone interact. energy: -0.131 local terms energy: -881.376332 where: bonds (distance) C4'-P energy: -176.392 bonds (distance) P-C4' energy: -151.653 flat angles C4'-P-C4' energy: -190.909 flat angles P-C4'-P energy: -129.819 tors. eta vs tors. theta energy: -232.604 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: 4 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -2778.344490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2778.344490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2778.344490 (E_RNA) where: Base-Base interactions energy: -1936.213 where: short stacking energy: -800.034 Base-Backbone interact. energy: -4.459 local terms energy: -837.673029 where: bonds (distance) C4'-P energy: -168.684 bonds (distance) P-C4' energy: -161.290 flat angles C4'-P-C4' energy: -165.092 flat angles P-C4'-P energy: -106.191 tors. eta vs tors. theta energy: -236.416 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: 3 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -2763.882815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2763.882815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2763.882815 (E_RNA) where: Base-Base interactions energy: -1909.213 where: short stacking energy: -813.559 Base-Backbone interact. energy: -3.032 local terms energy: -851.637421 where: bonds (distance) C4'-P energy: -153.154 bonds (distance) P-C4' energy: -143.366 flat angles C4'-P-C4' energy: -182.926 flat angles P-C4'-P energy: -124.477 tors. eta vs tors. theta energy: -247.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -2103.885404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2103.885404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2103.885404 (E_RNA) where: Base-Base interactions energy: -1388.043 where: short stacking energy: -642.832 Base-Backbone interact. energy: 0.225 local terms energy: -716.067040 where: bonds (distance) C4'-P energy: -161.520 bonds (distance) P-C4' energy: -145.159 flat angles C4'-P-C4' energy: -177.781 flat angles P-C4'-P energy: -95.214 tors. eta vs tors. theta energy: -136.394 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: 8, replica: 9 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1889.591644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.591644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.591644 (E_RNA) where: Base-Base interactions energy: -1262.055 where: short stacking energy: -564.888 Base-Backbone interact. energy: -2.400 local terms energy: -625.137014 where: bonds (distance) C4'-P energy: -138.588 bonds (distance) P-C4' energy: -134.508 flat angles C4'-P-C4' energy: -152.493 flat angles P-C4'-P energy: -78.815 tors. eta vs tors. theta energy: -120.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -1730.844048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.844048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.844048 (E_RNA) where: Base-Base interactions energy: -1095.922 where: short stacking energy: -464.706 Base-Backbone interact. energy: -4.287 local terms energy: -630.635138 where: bonds (distance) C4'-P energy: -140.708 bonds (distance) P-C4' energy: -149.253 flat angles C4'-P-C4' energy: -161.493 flat angles P-C4'-P energy: -88.274 tors. eta vs tors. theta energy: -90.906 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: 10, replica: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -1370.583632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.583632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.583632 (E_RNA) where: Base-Base interactions energy: -775.996 where: short stacking energy: -388.754 Base-Backbone interact. energy: -3.050 local terms energy: -591.537074 where: bonds (distance) C4'-P energy: -147.327 bonds (distance) P-C4' energy: -147.464 flat angles C4'-P-C4' energy: -136.371 flat angles P-C4'-P energy: -98.435 tors. eta vs tors. theta energy: -61.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -3355.692069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3355.692069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3355.692069 (E_RNA) where: Base-Base interactions energy: -2366.638 where: short stacking energy: -985.940 Base-Backbone interact. energy: -4.283 local terms energy: -984.771053 where: bonds (distance) C4'-P energy: -177.517 bonds (distance) P-C4' energy: -181.342 flat angles C4'-P-C4' energy: -206.679 flat angles P-C4'-P energy: -137.169 tors. eta vs tors. theta energy: -282.064 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: 2 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -3216.864260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3216.864260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3216.864260 (E_RNA) where: Base-Base interactions energy: -2273.885 where: short stacking energy: -935.915 Base-Backbone interact. energy: -4.519 local terms energy: -938.460835 where: bonds (distance) C4'-P energy: -176.692 bonds (distance) P-C4' energy: -170.354 flat angles C4'-P-C4' energy: -197.901 flat angles P-C4'-P energy: -123.801 tors. eta vs tors. theta energy: -269.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -3006.294817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3006.294817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3006.294817 (E_RNA) where: Base-Base interactions energy: -2066.586 where: short stacking energy: -883.395 Base-Backbone interact. energy: 0.173 local terms energy: -939.881481 where: bonds (distance) C4'-P energy: -189.323 bonds (distance) P-C4' energy: -170.951 flat angles C4'-P-C4' energy: -198.125 flat angles P-C4'-P energy: -129.759 tors. eta vs tors. theta energy: -251.723 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: 4, replica: 8 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -2905.011085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.011085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.011085 (E_RNA) where: Base-Base interactions energy: -2027.250 where: short stacking energy: -827.323 Base-Backbone interact. energy: 0.535 local terms energy: -878.296308 where: bonds (distance) C4'-P energy: -168.165 bonds (distance) P-C4' energy: -166.032 flat angles C4'-P-C4' energy: -186.430 flat angles P-C4'-P energy: -112.591 tors. eta vs tors. theta energy: -245.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -2813.122512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2813.122512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2813.122512 (E_RNA) where: Base-Base interactions energy: -1934.771 where: short stacking energy: -814.643 Base-Backbone interact. energy: -4.088 local terms energy: -874.263538 where: bonds (distance) C4'-P energy: -161.487 bonds (distance) P-C4' energy: -154.749 flat angles C4'-P-C4' energy: -177.116 flat angles P-C4'-P energy: -137.603 tors. eta vs tors. theta energy: -243.309 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: 6, replica: 3 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -2764.545804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2764.545804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2764.545804 (E_RNA) where: Base-Base interactions energy: -1939.431 where: short stacking energy: -835.040 Base-Backbone interact. energy: -3.913 local terms energy: -821.202413 where: bonds (distance) C4'-P energy: -144.509 bonds (distance) P-C4' energy: -145.265 flat angles C4'-P-C4' energy: -177.693 flat angles P-C4'-P energy: -116.158 tors. eta vs tors. theta energy: -237.577 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: 7 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -2173.128087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2173.128087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2173.128087 (E_RNA) where: Base-Base interactions energy: -1453.144 where: short stacking energy: -660.687 Base-Backbone interact. energy: -0.053 local terms energy: -719.931061 where: bonds (distance) C4'-P energy: -135.053 bonds (distance) P-C4' energy: -133.042 flat angles C4'-P-C4' energy: -176.106 flat angles P-C4'-P energy: -109.986 tors. eta vs tors. theta energy: -165.745 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: 8, replica: 9 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1900.245378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1900.245378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1900.245378 (E_RNA) where: Base-Base interactions energy: -1260.352 where: short stacking energy: -560.240 Base-Backbone interact. energy: -3.773 local terms energy: -636.120722 where: bonds (distance) C4'-P energy: -133.525 bonds (distance) P-C4' energy: -165.977 flat angles C4'-P-C4' energy: -137.348 flat angles P-C4'-P energy: -93.088 tors. eta vs tors. theta energy: -106.182 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: 5 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -1699.274582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.274582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.274582 (E_RNA) where: Base-Base interactions energy: -1092.384 where: short stacking energy: -482.259 Base-Backbone interact. energy: 8.361 local terms energy: -615.252002 where: bonds (distance) C4'-P energy: -152.583 bonds (distance) P-C4' energy: -161.296 flat angles C4'-P-C4' energy: -135.595 flat angles P-C4'-P energy: -82.760 tors. eta vs tors. theta energy: -83.018 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: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -1412.891155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.891155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.891155 (E_RNA) where: Base-Base interactions energy: -864.764 where: short stacking energy: -359.072 Base-Backbone interact. energy: -0.896 local terms energy: -547.230974 where: bonds (distance) C4'-P energy: -140.683 bonds (distance) P-C4' energy: -133.039 flat angles C4'-P-C4' energy: -138.201 flat angles P-C4'-P energy: -95.426 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: 1, replica: 6 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -3354.313009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3354.313009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3354.313009 (E_RNA) where: Base-Base interactions energy: -2346.424 where: short stacking energy: -959.614 Base-Backbone interact. energy: -4.299 local terms energy: -1003.589774 where: bonds (distance) C4'-P energy: -171.583 bonds (distance) P-C4' energy: -189.793 flat angles C4'-P-C4' energy: -208.483 flat angles P-C4'-P energy: -147.767 tors. eta vs tors. theta energy: -285.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -3200.828217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.828217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.828217 (E_RNA) where: Base-Base interactions energy: -2269.142 where: short stacking energy: -933.526 Base-Backbone interact. energy: -3.538 local terms energy: -928.147946 where: bonds (distance) C4'-P energy: -175.650 bonds (distance) P-C4' energy: -155.774 flat angles C4'-P-C4' energy: -194.258 flat angles P-C4'-P energy: -144.805 tors. eta vs tors. theta energy: -257.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -3018.618218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3018.618218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3018.618218 (E_RNA) where: Base-Base interactions energy: -2115.682 where: short stacking energy: -887.913 Base-Backbone interact. energy: -4.444 local terms energy: -898.492915 where: bonds (distance) C4'-P energy: -151.201 bonds (distance) P-C4' energy: -183.755 flat angles C4'-P-C4' energy: -195.927 flat angles P-C4'-P energy: -138.404 tors. eta vs tors. theta energy: -229.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -2921.521394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2921.521394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2921.521394 (E_RNA) where: Base-Base interactions energy: -2024.982 where: short stacking energy: -833.037 Base-Backbone interact. energy: -5.220 local terms energy: -891.318675 where: bonds (distance) C4'-P energy: -151.048 bonds (distance) P-C4' energy: -166.950 flat angles C4'-P-C4' energy: -180.963 flat angles P-C4'-P energy: -132.781 tors. eta vs tors. theta energy: -259.577 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: 490 Temperature: 1.100000 Total energy: -2824.669162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2824.669162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2824.669162 (E_RNA) where: Base-Base interactions energy: -1995.163 where: short stacking energy: -848.715 Base-Backbone interact. energy: -1.654 local terms energy: -827.852479 where: bonds (distance) C4'-P energy: -140.815 bonds (distance) P-C4' energy: -154.618 flat angles C4'-P-C4' energy: -168.519 flat angles P-C4'-P energy: -128.802 tors. eta vs tors. theta energy: -235.099 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: 3 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -2766.329608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2766.329608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2766.329608 (E_RNA) where: Base-Base interactions energy: -1886.334 where: short stacking energy: -802.165 Base-Backbone interact. energy: -2.062 local terms energy: -877.934109 where: bonds (distance) C4'-P energy: -179.227 bonds (distance) P-C4' energy: -158.942 flat angles C4'-P-C4' energy: -191.484 flat angles P-C4'-P energy: -119.417 tors. eta vs tors. theta energy: -228.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -2128.699003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2128.699003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2128.699003 (E_RNA) where: Base-Base interactions energy: -1405.028 where: short stacking energy: -625.838 Base-Backbone interact. energy: 3.445 local terms energy: -727.116404 where: bonds (distance) C4'-P energy: -152.039 bonds (distance) P-C4' energy: -153.672 flat angles C4'-P-C4' energy: -151.686 flat angles P-C4'-P energy: -97.212 tors. eta vs tors. theta energy: -172.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1894.730443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.730443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.730443 (E_RNA) where: Base-Base interactions energy: -1219.174 where: short stacking energy: -545.662 Base-Backbone interact. energy: -0.413 local terms energy: -675.143186 where: bonds (distance) C4'-P energy: -144.249 bonds (distance) P-C4' energy: -166.225 flat angles C4'-P-C4' energy: -172.900 flat angles P-C4'-P energy: -101.304 tors. eta vs tors. theta energy: -90.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -1587.314676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.314676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.314676 (E_RNA) where: Base-Base interactions energy: -974.013 where: short stacking energy: -448.045 Base-Backbone interact. energy: 7.382 local terms energy: -620.684397 where: bonds (distance) C4'-P energy: -149.557 bonds (distance) P-C4' energy: -141.873 flat angles C4'-P-C4' energy: -155.204 flat angles P-C4'-P energy: -93.655 tors. eta vs tors. theta energy: -80.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -1297.269740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.269740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.269740 (E_RNA) where: Base-Base interactions energy: -780.432 where: short stacking energy: -387.387 Base-Backbone interact. energy: 3.518 local terms energy: -520.355235 where: bonds (distance) C4'-P energy: -149.398 bonds (distance) P-C4' energy: -136.733 flat angles C4'-P-C4' energy: -157.646 flat angles P-C4'-P energy: -65.551 tors. eta vs tors. theta energy: -11.027 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: 6 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -3337.788196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3337.788196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3337.788196 (E_RNA) where: Base-Base interactions energy: -2331.995 where: short stacking energy: -979.871 Base-Backbone interact. energy: -1.612 local terms energy: -1004.180727 where: bonds (distance) C4'-P energy: -181.131 bonds (distance) P-C4' energy: -178.075 flat angles C4'-P-C4' energy: -215.783 flat angles P-C4'-P energy: -147.423 tors. eta vs tors. theta energy: -281.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -3211.544072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3211.544072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3211.544072 (E_RNA) where: Base-Base interactions energy: -2271.348 where: short stacking energy: -971.556 Base-Backbone interact. energy: 2.036 local terms energy: -942.232344 where: bonds (distance) C4'-P energy: -160.844 bonds (distance) P-C4' energy: -177.894 flat angles C4'-P-C4' energy: -191.994 flat angles P-C4'-P energy: -126.408 tors. eta vs tors. theta energy: -285.092 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: 491 Temperature: 1.000000 Total energy: -3063.896911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.896911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.896911 (E_RNA) where: Base-Base interactions energy: -2161.874 where: short stacking energy: -900.557 Base-Backbone interact. energy: -4.209 local terms energy: -897.814356 where: bonds (distance) C4'-P energy: -153.258 bonds (distance) P-C4' energy: -163.837 flat angles C4'-P-C4' energy: -195.697 flat angles P-C4'-P energy: -127.598 tors. eta vs tors. theta energy: -257.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -2905.688992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2905.688992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2905.688992 (E_RNA) where: Base-Base interactions energy: -2032.359 where: short stacking energy: -864.472 Base-Backbone interact. energy: -4.578 local terms energy: -868.752183 where: bonds (distance) C4'-P energy: -154.168 bonds (distance) P-C4' energy: -169.530 flat angles C4'-P-C4' energy: -190.872 flat angles P-C4'-P energy: -115.605 tors. eta vs tors. theta energy: -238.578 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: 5, replica: 4 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -2783.330174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2783.330174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2783.330174 (E_RNA) where: Base-Base interactions energy: -1945.995 where: short stacking energy: -802.811 Base-Backbone interact. energy: -0.161 local terms energy: -837.173673 where: bonds (distance) C4'-P energy: -148.033 bonds (distance) P-C4' energy: -164.264 flat angles C4'-P-C4' energy: -187.564 flat angles P-C4'-P energy: -111.059 tors. eta vs tors. theta energy: -226.254 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: 491 Temperature: 1.150000 Total energy: -2707.600868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2707.600868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2707.600868 (E_RNA) where: Base-Base interactions energy: -1868.339 where: short stacking energy: -788.463 Base-Backbone interact. energy: -3.573 local terms energy: -835.689181 where: bonds (distance) C4'-P energy: -154.882 bonds (distance) P-C4' energy: -169.305 flat angles C4'-P-C4' energy: -185.912 flat angles P-C4'-P energy: -104.489 tors. eta vs tors. theta energy: -221.101 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: 7, replica: 7 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -2156.531365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2156.531365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2156.531365 (E_RNA) where: Base-Base interactions energy: -1442.178 where: short stacking energy: -633.660 Base-Backbone interact. energy: 1.367 local terms energy: -715.720889 where: bonds (distance) C4'-P energy: -170.261 bonds (distance) P-C4' energy: -129.134 flat angles C4'-P-C4' energy: -147.924 flat angles P-C4'-P energy: -108.555 tors. eta vs tors. theta energy: -159.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1848.417367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.417367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.417367 (E_RNA) where: Base-Base interactions energy: -1211.928 where: short stacking energy: -551.195 Base-Backbone interact. energy: 7.880 local terms energy: -644.369665 where: bonds (distance) C4'-P energy: -163.256 bonds (distance) P-C4' energy: -136.910 flat angles C4'-P-C4' energy: -150.289 flat angles P-C4'-P energy: -101.492 tors. eta vs tors. theta energy: -92.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -1611.910829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.910829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.910829 (E_RNA) where: Base-Base interactions energy: -994.758 where: short stacking energy: -460.539 Base-Backbone interact. energy: 0.909 local terms energy: -618.061455 where: bonds (distance) C4'-P energy: -135.101 bonds (distance) P-C4' energy: -157.784 flat angles C4'-P-C4' energy: -154.349 flat angles P-C4'-P energy: -92.403 tors. eta vs tors. theta energy: -78.425 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: 10 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -1309.798923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.798923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.798923 (E_RNA) where: Base-Base interactions energy: -789.421 where: short stacking energy: -404.327 Base-Backbone interact. energy: 7.178 local terms energy: -527.556300 where: bonds (distance) C4'-P energy: -149.855 bonds (distance) P-C4' energy: -135.851 flat angles C4'-P-C4' energy: -115.137 flat angles P-C4'-P energy: -74.467 tors. eta vs tors. theta energy: -52.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -3355.390915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3355.390915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3355.390915 (E_RNA) where: Base-Base interactions energy: -2367.769 where: short stacking energy: -975.519 Base-Backbone interact. energy: -5.392 local terms energy: -982.229697 where: bonds (distance) C4'-P energy: -172.494 bonds (distance) P-C4' energy: -185.556 flat angles C4'-P-C4' energy: -200.943 flat angles P-C4'-P energy: -152.431 tors. eta vs tors. theta energy: -270.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -3207.461817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3207.461817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3207.461817 (E_RNA) where: Base-Base interactions energy: -2247.845 where: short stacking energy: -940.787 Base-Backbone interact. energy: -4.494 local terms energy: -955.123040 where: bonds (distance) C4'-P energy: -160.379 bonds (distance) P-C4' energy: -179.873 flat angles C4'-P-C4' energy: -201.175 flat angles P-C4'-P energy: -144.201 tors. eta vs tors. theta energy: -269.494 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: 492 Temperature: 1.000000 Total energy: -3063.689564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3063.689564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3063.689564 (E_RNA) where: Base-Base interactions energy: -2130.350 where: short stacking energy: -892.297 Base-Backbone interact. energy: -4.425 local terms energy: -928.914496 where: bonds (distance) C4'-P energy: -147.512 bonds (distance) P-C4' energy: -186.823 flat angles C4'-P-C4' energy: -214.260 flat angles P-C4'-P energy: -134.908 tors. eta vs tors. theta energy: -245.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -2850.344410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2850.344410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2850.344410 (E_RNA) where: Base-Base interactions energy: -1965.553 where: short stacking energy: -799.870 Base-Backbone interact. energy: -0.009 local terms energy: -884.782668 where: bonds (distance) C4'-P energy: -156.750 bonds (distance) P-C4' energy: -171.355 flat angles C4'-P-C4' energy: -176.974 flat angles P-C4'-P energy: -143.641 tors. eta vs tors. theta energy: -236.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -2814.873905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2814.873905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2814.873905 (E_RNA) where: Base-Base interactions energy: -1950.659 where: short stacking energy: -815.014 Base-Backbone interact. energy: -1.893 local terms energy: -862.321340 where: bonds (distance) C4'-P energy: -168.174 bonds (distance) P-C4' energy: -172.708 flat angles C4'-P-C4' energy: -178.861 flat angles P-C4'-P energy: -125.369 tors. eta vs tors. theta energy: -217.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -2722.156478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2722.156478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2722.156478 (E_RNA) where: Base-Base interactions energy: -1879.160 where: short stacking energy: -798.863 Base-Backbone interact. energy: 0.255 local terms energy: -843.251783 where: bonds (distance) C4'-P energy: -156.132 bonds (distance) P-C4' energy: -148.595 flat angles C4'-P-C4' energy: -184.948 flat angles P-C4'-P energy: -119.258 tors. eta vs tors. theta energy: -234.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -2117.466886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2117.466886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2117.466886 (E_RNA) where: Base-Base interactions energy: -1426.854 where: short stacking energy: -621.231 Base-Backbone interact. energy: -2.236 local terms energy: -688.376641 where: bonds (distance) C4'-P energy: -158.995 bonds (distance) P-C4' energy: -151.755 flat angles C4'-P-C4' energy: -143.180 flat angles P-C4'-P energy: -88.659 tors. eta vs tors. theta energy: -145.788 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: 9 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1912.701532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.701532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.701532 (E_RNA) where: Base-Base interactions energy: -1270.297 where: short stacking energy: -524.794 Base-Backbone interact. energy: -1.053 local terms energy: -641.351476 where: bonds (distance) C4'-P energy: -155.937 bonds (distance) P-C4' energy: -159.155 flat angles C4'-P-C4' energy: -153.807 flat angles P-C4'-P energy: -81.835 tors. eta vs tors. theta energy: -90.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -1627.102577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.102577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.102577 (E_RNA) where: Base-Base interactions energy: -1027.084 where: short stacking energy: -455.571 Base-Backbone interact. energy: -1.994 local terms energy: -598.024587 where: bonds (distance) C4'-P energy: -141.119 bonds (distance) P-C4' energy: -129.112 flat angles C4'-P-C4' energy: -153.347 flat angles P-C4'-P energy: -93.746 tors. eta vs tors. theta energy: -80.700 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: 10, replica: 10 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -1372.163949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.163949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.163949 (E_RNA) where: Base-Base interactions energy: -847.297 where: short stacking energy: -413.377 Base-Backbone interact. energy: 1.575 local terms energy: -526.442557 where: bonds (distance) C4'-P energy: -143.017 bonds (distance) P-C4' energy: -149.283 flat angles C4'-P-C4' energy: -104.028 flat angles P-C4'-P energy: -79.466 tors. eta vs tors. theta energy: -50.649 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: 1, replica: 6 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -3373.829219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3373.829219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3373.829219 (E_RNA) where: Base-Base interactions energy: -2382.375 where: short stacking energy: -1013.481 Base-Backbone interact. energy: 0.703 local terms energy: -992.156913 where: bonds (distance) C4'-P energy: -185.369 bonds (distance) P-C4' energy: -164.834 flat angles C4'-P-C4' energy: -219.764 flat angles P-C4'-P energy: -139.667 tors. eta vs tors. theta energy: -282.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -3222.094198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3222.094198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3222.094198 (E_RNA) where: Base-Base interactions energy: -2267.724 where: short stacking energy: -961.704 Base-Backbone interact. energy: -0.269 local terms energy: -954.100970 where: bonds (distance) C4'-P energy: -169.371 bonds (distance) P-C4' energy: -170.007 flat angles C4'-P-C4' energy: -201.665 flat angles P-C4'-P energy: -131.776 tors. eta vs tors. theta energy: -281.282 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: 1 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -3049.495582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3049.495582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3049.495582 (E_RNA) where: Base-Base interactions energy: -2130.411 where: short stacking energy: -894.785 Base-Backbone interact. energy: -5.738 local terms energy: -913.346139 where: bonds (distance) C4'-P energy: -150.838 bonds (distance) P-C4' energy: -182.554 flat angles C4'-P-C4' energy: -193.058 flat angles P-C4'-P energy: -118.914 tors. eta vs tors. theta energy: -267.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -2885.828816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2885.828816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2885.828816 (E_RNA) where: Base-Base interactions energy: -1975.484 where: short stacking energy: -808.367 Base-Backbone interact. energy: -1.370 local terms energy: -908.975188 where: bonds (distance) C4'-P energy: -173.694 bonds (distance) P-C4' energy: -172.278 flat angles C4'-P-C4' energy: -189.729 flat angles P-C4'-P energy: -136.840 tors. eta vs tors. theta energy: -236.435 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: 3 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -2793.855254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2793.855254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2793.855254 (E_RNA) where: Base-Base interactions energy: -1905.334 where: short stacking energy: -818.695 Base-Backbone interact. energy: -2.596 local terms energy: -885.925443 where: bonds (distance) C4'-P energy: -149.692 bonds (distance) P-C4' energy: -172.420 flat angles C4'-P-C4' energy: -198.378 flat angles P-C4'-P energy: -142.576 tors. eta vs tors. theta energy: -222.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -2701.953245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2701.953245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2701.953245 (E_RNA) where: Base-Base interactions energy: -1877.082 where: short stacking energy: -794.424 Base-Backbone interact. energy: -4.519 local terms energy: -820.352227 where: bonds (distance) C4'-P energy: -149.405 bonds (distance) P-C4' energy: -168.090 flat angles C4'-P-C4' energy: -173.051 flat angles P-C4'-P energy: -102.833 tors. eta vs tors. theta energy: -226.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -2183.987352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2183.987352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2183.987352 (E_RNA) where: Base-Base interactions energy: -1450.298 where: short stacking energy: -631.819 Base-Backbone interact. energy: 2.911 local terms energy: -736.600506 where: bonds (distance) C4'-P energy: -163.281 bonds (distance) P-C4' energy: -163.436 flat angles C4'-P-C4' energy: -156.612 flat angles P-C4'-P energy: -82.619 tors. eta vs tors. theta energy: -170.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1895.976993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.976993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.976993 (E_RNA) where: Base-Base interactions energy: -1235.393 where: short stacking energy: -549.864 Base-Backbone interact. energy: 3.761 local terms energy: -664.345857 where: bonds (distance) C4'-P energy: -146.644 bonds (distance) P-C4' energy: -168.209 flat angles C4'-P-C4' energy: -153.293 flat angles P-C4'-P energy: -83.656 tors. eta vs tors. theta energy: -112.545 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: 5 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -1686.512819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.512819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.512819 (E_RNA) where: Base-Base interactions energy: -1071.930 where: short stacking energy: -502.852 Base-Backbone interact. energy: -2.510 local terms energy: -612.072688 where: bonds (distance) C4'-P energy: -137.662 bonds (distance) P-C4' energy: -151.631 flat angles C4'-P-C4' energy: -135.865 flat angles P-C4'-P energy: -98.033 tors. eta vs tors. theta energy: -88.882 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: 10 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -1312.396680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.396680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.396680 (E_RNA) where: Base-Base interactions energy: -786.485 where: short stacking energy: -375.436 Base-Backbone interact. energy: 9.525 local terms energy: -535.437233 where: bonds (distance) C4'-P energy: -147.614 bonds (distance) P-C4' energy: -131.317 flat angles C4'-P-C4' energy: -146.433 flat angles P-C4'-P energy: -87.923 tors. eta vs tors. theta energy: -22.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -3374.518311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3374.518311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3374.518311 (E_RNA) where: Base-Base interactions energy: -2361.647 where: short stacking energy: -955.485 Base-Backbone interact. energy: -6.796 local terms energy: -1006.075616 where: bonds (distance) C4'-P energy: -187.791 bonds (distance) P-C4' energy: -177.342 flat angles C4'-P-C4' energy: -219.073 flat angles P-C4'-P energy: -142.808 tors. eta vs tors. theta energy: -279.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -3200.306918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3200.306918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3200.306918 (E_RNA) where: Base-Base interactions energy: -2250.640 where: short stacking energy: -961.478 Base-Backbone interact. energy: -2.458 local terms energy: -947.209584 where: bonds (distance) C4'-P energy: -185.308 bonds (distance) P-C4' energy: -162.395 flat angles C4'-P-C4' energy: -195.459 flat angles P-C4'-P energy: -137.227 tors. eta vs tors. theta energy: -266.821 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: 1 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -3050.476487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3050.476487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3050.476487 (E_RNA) where: Base-Base interactions energy: -2114.762 where: short stacking energy: -886.005 Base-Backbone interact. energy: -5.334 local terms energy: -930.380149 where: bonds (distance) C4'-P energy: -169.151 bonds (distance) P-C4' energy: -177.696 flat angles C4'-P-C4' energy: -203.850 flat angles P-C4'-P energy: -122.809 tors. eta vs tors. theta energy: -256.874 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: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -2855.040704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2855.040704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2855.040704 (E_RNA) where: Base-Base interactions energy: -2016.997 where: short stacking energy: -837.244 Base-Backbone interact. energy: -3.113 local terms energy: -834.930648 where: bonds (distance) C4'-P energy: -143.178 bonds (distance) P-C4' energy: -154.824 flat angles C4'-P-C4' energy: -169.587 flat angles P-C4'-P energy: -130.557 tors. eta vs tors. theta energy: -236.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -2810.546419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2810.546419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2810.546419 (E_RNA) where: Base-Base interactions energy: -1942.779 where: short stacking energy: -845.492 Base-Backbone interact. energy: -2.480 local terms energy: -865.288079 where: bonds (distance) C4'-P energy: -162.471 bonds (distance) P-C4' energy: -157.484 flat angles C4'-P-C4' energy: -180.588 flat angles P-C4'-P energy: -124.315 tors. eta vs tors. theta energy: -240.430 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: 6, replica: 4 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -2677.740617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2677.740617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2677.740617 (E_RNA) where: Base-Base interactions energy: -1852.796 where: short stacking energy: -779.237 Base-Backbone interact. energy: -1.113 local terms energy: -823.831422 where: bonds (distance) C4'-P energy: -132.810 bonds (distance) P-C4' energy: -178.170 flat angles C4'-P-C4' energy: -178.787 flat angles P-C4'-P energy: -123.039 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: 7, replica: 7 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -2138.223227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2138.223227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2138.223227 (E_RNA) where: Base-Base interactions energy: -1435.692 where: short stacking energy: -626.602 Base-Backbone interact. energy: 0.281 local terms energy: -702.812590 where: bonds (distance) C4'-P energy: -153.898 bonds (distance) P-C4' energy: -149.640 flat angles C4'-P-C4' energy: -166.335 flat angles P-C4'-P energy: -87.229 tors. eta vs tors. theta energy: -145.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1923.811003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1923.811003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1923.811003 (E_RNA) where: Base-Base interactions energy: -1250.098 where: short stacking energy: -571.545 Base-Backbone interact. energy: -0.950 local terms energy: -672.762821 where: bonds (distance) C4'-P energy: -122.075 bonds (distance) P-C4' energy: -149.534 flat angles C4'-P-C4' energy: -161.931 flat angles P-C4'-P energy: -96.481 tors. eta vs tors. theta energy: -142.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -1669.567680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.567680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.567680 (E_RNA) where: Base-Base interactions energy: -1076.105 where: short stacking energy: -490.157 Base-Backbone interact. energy: -1.961 local terms energy: -591.501331 where: bonds (distance) C4'-P energy: -133.768 bonds (distance) P-C4' energy: -156.820 flat angles C4'-P-C4' energy: -126.491 flat angles P-C4'-P energy: -99.727 tors. eta vs tors. theta energy: -74.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -1270.379803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.379803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.379803 (E_RNA) where: Base-Base interactions energy: -760.167 where: short stacking energy: -375.561 Base-Backbone interact. energy: 2.010 local terms energy: -512.222592 where: bonds (distance) C4'-P energy: -142.225 bonds (distance) P-C4' energy: -138.937 flat angles C4'-P-C4' energy: -131.580 flat angles P-C4'-P energy: -81.458 tors. eta vs tors. theta energy: -18.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -3354.136994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3354.136994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3354.136994 (E_RNA) where: Base-Base interactions energy: -2380.805 where: short stacking energy: -967.094 Base-Backbone interact. energy: -0.257 local terms energy: -973.075679 where: bonds (distance) C4'-P energy: -185.670 bonds (distance) P-C4' energy: -175.837 flat angles C4'-P-C4' energy: -202.576 flat angles P-C4'-P energy: -138.693 tors. eta vs tors. theta energy: -270.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -3206.604371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3206.604371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3206.604371 (E_RNA) where: Base-Base interactions energy: -2244.939 where: short stacking energy: -944.283 Base-Backbone interact. energy: -2.365 local terms energy: -959.300621 where: bonds (distance) C4'-P energy: -174.519 bonds (distance) P-C4' energy: -189.548 flat angles C4'-P-C4' energy: -205.042 flat angles P-C4'-P energy: -130.233 tors. eta vs tors. theta energy: -259.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -3079.577785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3079.577785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3079.577785 (E_RNA) where: Base-Base interactions energy: -2154.648 where: short stacking energy: -925.275 Base-Backbone interact. energy: 1.076 local terms energy: -926.006445 where: bonds (distance) C4'-P energy: -154.944 bonds (distance) P-C4' energy: -171.464 flat angles C4'-P-C4' energy: -204.238 flat angles P-C4'-P energy: -123.751 tors. eta vs tors. theta energy: -271.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -2915.677877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2915.677877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2915.677877 (E_RNA) where: Base-Base interactions energy: -2040.610 where: short stacking energy: -871.994 Base-Backbone interact. energy: 8.738 local terms energy: -883.806487 where: bonds (distance) C4'-P energy: -160.116 bonds (distance) P-C4' energy: -178.573 flat angles C4'-P-C4' energy: -183.659 flat angles P-C4'-P energy: -109.024 tors. eta vs tors. theta energy: -252.435 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: 3 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -2744.888694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2744.888694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2744.888694 (E_RNA) where: Base-Base interactions energy: -1885.592 where: short stacking energy: -802.362 Base-Backbone interact. energy: 0.724 local terms energy: -860.020529 where: bonds (distance) C4'-P energy: -159.995 bonds (distance) P-C4' energy: -163.647 flat angles C4'-P-C4' energy: -196.486 flat angles P-C4'-P energy: -127.130 tors. eta vs tors. theta energy: -212.763 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: 4 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -2678.441665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2678.441665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2678.441665 (E_RNA) where: Base-Base interactions energy: -1874.577 where: short stacking energy: -770.940 Base-Backbone interact. energy: -4.716 local terms energy: -799.148543 where: bonds (distance) C4'-P energy: -152.854 bonds (distance) P-C4' energy: -139.100 flat angles C4'-P-C4' energy: -172.011 flat angles P-C4'-P energy: -107.873 tors. eta vs tors. theta energy: -227.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -2171.809758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2171.809758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2171.809758 (E_RNA) where: Base-Base interactions energy: -1418.369 where: short stacking energy: -618.437 Base-Backbone interact. energy: 3.458 local terms energy: -756.899178 where: bonds (distance) C4'-P energy: -145.546 bonds (distance) P-C4' energy: -170.376 flat angles C4'-P-C4' energy: -174.717 flat angles P-C4'-P energy: -126.675 tors. eta vs tors. theta energy: -139.585 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: 9 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1843.497695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.497695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.497695 (E_RNA) where: Base-Base interactions energy: -1187.209 where: short stacking energy: -535.518 Base-Backbone interact. energy: -1.388 local terms energy: -654.901345 where: bonds (distance) C4'-P energy: -146.264 bonds (distance) P-C4' energy: -152.624 flat angles C4'-P-C4' energy: -157.814 flat angles P-C4'-P energy: -88.002 tors. eta vs tors. theta energy: -110.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -1670.099288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.099288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.099288 (E_RNA) where: Base-Base interactions energy: -1052.590 where: short stacking energy: -458.946 Base-Backbone interact. energy: 3.711 local terms energy: -621.219807 where: bonds (distance) C4'-P energy: -146.890 bonds (distance) P-C4' energy: -154.458 flat angles C4'-P-C4' energy: -137.700 flat angles P-C4'-P energy: -97.871 tors. eta vs tors. theta energy: -84.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -1232.260526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.260526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.260526 (E_RNA) where: Base-Base interactions energy: -711.328 where: short stacking energy: -304.462 Base-Backbone interact. energy: 4.095 local terms energy: -525.027814 where: bonds (distance) C4'-P energy: -149.181 bonds (distance) P-C4' energy: -165.121 flat angles C4'-P-C4' energy: -126.075 flat angles P-C4'-P energy: -69.790 tors. eta vs tors. theta energy: -14.861 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: 6 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -3388.406778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3388.406778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3388.406778 (E_RNA) where: Base-Base interactions energy: -2397.365 where: short stacking energy: -995.730 Base-Backbone interact. energy: -1.733 local terms energy: -989.308212 where: bonds (distance) C4'-P energy: -167.992 bonds (distance) P-C4' energy: -180.891 flat angles C4'-P-C4' energy: -214.922 flat angles P-C4'-P energy: -147.794 tors. eta vs tors. theta energy: -277.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -3213.753105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3213.753105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3213.753105 (E_RNA) where: Base-Base interactions energy: -2273.626 where: short stacking energy: -910.681 Base-Backbone interact. energy: -3.652 local terms energy: -936.475288 where: bonds (distance) C4'-P energy: -172.144 bonds (distance) P-C4' energy: -161.191 flat angles C4'-P-C4' energy: -195.895 flat angles P-C4'-P energy: -138.676 tors. eta vs tors. theta energy: -268.568 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: 3, replica: 1 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -3042.255192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3042.255192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3042.255192 (E_RNA) where: Base-Base interactions energy: -2095.916 where: short stacking energy: -913.021 Base-Backbone interact. energy: -3.616 local terms energy: -942.723307 where: bonds (distance) C4'-P energy: -174.038 bonds (distance) P-C4' energy: -173.616 flat angles C4'-P-C4' energy: -193.579 flat angles P-C4'-P energy: -137.559 tors. eta vs tors. theta energy: -263.930 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: 4, replica: 8 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -2911.760728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2911.760728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2911.760728 (E_RNA) where: Base-Base interactions energy: -2017.280 where: short stacking energy: -842.065 Base-Backbone interact. energy: -4.612 local terms energy: -889.869216 where: bonds (distance) C4'-P energy: -153.209 bonds (distance) P-C4' energy: -172.945 flat angles C4'-P-C4' energy: -200.830 flat angles P-C4'-P energy: -122.119 tors. eta vs tors. theta energy: -240.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -2779.402661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2779.402661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2779.402661 (E_RNA) where: Base-Base interactions energy: -1938.204 where: short stacking energy: -816.526 Base-Backbone interact. energy: -0.451 local terms energy: -840.748135 where: bonds (distance) C4'-P energy: -167.825 bonds (distance) P-C4' energy: -159.013 flat angles C4'-P-C4' energy: -187.536 flat angles P-C4'-P energy: -100.656 tors. eta vs tors. theta energy: -225.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -2746.266112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2746.266112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2746.266112 (E_RNA) where: Base-Base interactions energy: -1859.484 where: short stacking energy: -785.463 Base-Backbone interact. energy: -6.875 local terms energy: -879.907211 where: bonds (distance) C4'-P energy: -161.301 bonds (distance) P-C4' energy: -151.674 flat angles C4'-P-C4' energy: -193.329 flat angles P-C4'-P energy: -132.701 tors. eta vs tors. theta energy: -240.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -2077.154623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2077.154623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2077.154623 (E_RNA) where: Base-Base interactions energy: -1405.684 where: short stacking energy: -639.760 Base-Backbone interact. energy: -1.572 local terms energy: -669.898636 where: bonds (distance) C4'-P energy: -116.104 bonds (distance) P-C4' energy: -156.797 flat angles C4'-P-C4' energy: -159.606 flat angles P-C4'-P energy: -96.758 tors. eta vs tors. theta energy: -140.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1787.423458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.423458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.423458 (E_RNA) where: Base-Base interactions energy: -1204.211 where: short stacking energy: -522.390 Base-Backbone interact. energy: -2.852 local terms energy: -580.360560 where: bonds (distance) C4'-P energy: -123.592 bonds (distance) P-C4' energy: -153.651 flat angles C4'-P-C4' energy: -136.096 flat angles P-C4'-P energy: -81.396 tors. eta vs tors. theta energy: -85.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -1705.570441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.570441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.570441 (E_RNA) where: Base-Base interactions energy: -1111.770 where: short stacking energy: -501.693 Base-Backbone interact. energy: -3.407 local terms energy: -590.393235 where: bonds (distance) C4'-P energy: -136.213 bonds (distance) P-C4' energy: -143.002 flat angles C4'-P-C4' energy: -142.627 flat angles P-C4'-P energy: -97.887 tors. eta vs tors. theta energy: -70.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -1180.342141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.342141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.342141 (E_RNA) where: Base-Base interactions energy: -687.226 where: short stacking energy: -336.553 Base-Backbone interact. energy: -0.661 local terms energy: -492.454897 where: bonds (distance) C4'-P energy: -138.910 bonds (distance) P-C4' energy: -133.050 flat angles C4'-P-C4' energy: -125.853 flat angles P-C4'-P energy: -71.072 tors. eta vs tors. theta energy: -23.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -3353.805565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3353.805565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3353.805565 (E_RNA) where: Base-Base interactions energy: -2391.734 where: short stacking energy: -975.021 Base-Backbone interact. energy: -4.986 local terms energy: -957.085605 where: bonds (distance) C4'-P energy: -148.591 bonds (distance) P-C4' energy: -171.760 flat angles C4'-P-C4' energy: -216.590 flat angles P-C4'-P energy: -145.606 tors. eta vs tors. theta energy: -274.538 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: 2 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -3225.085204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3225.085204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3225.085204 (E_RNA) where: Base-Base interactions energy: -2241.831 where: short stacking energy: -915.197 Base-Backbone interact. energy: -1.730 local terms energy: -981.524171 where: bonds (distance) C4'-P energy: -179.556 bonds (distance) P-C4' energy: -194.958 flat angles C4'-P-C4' energy: -202.263 flat angles P-C4'-P energy: -139.808 tors. eta vs tors. theta energy: -264.940 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: 1 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -3061.509738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3061.509738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3061.509738 (E_RNA) where: Base-Base interactions energy: -2099.675 where: short stacking energy: -916.421 Base-Backbone interact. energy: -2.739 local terms energy: -959.095771 where: bonds (distance) C4'-P energy: -176.837 bonds (distance) P-C4' energy: -176.063 flat angles C4'-P-C4' energy: -198.736 flat angles P-C4'-P energy: -141.160 tors. eta vs tors. theta energy: -266.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -2835.901498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2835.901498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2835.901498 (E_RNA) where: Base-Base interactions energy: -1987.290 where: short stacking energy: -796.009 Base-Backbone interact. energy: 5.337 local terms energy: -853.948415 where: bonds (distance) C4'-P energy: -160.867 bonds (distance) P-C4' energy: -174.825 flat angles C4'-P-C4' energy: -174.738 flat angles P-C4'-P energy: -118.094 tors. eta vs tors. theta energy: -225.424 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: 3 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -2765.725729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2765.725729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2765.725729 (E_RNA) where: Base-Base interactions energy: -1915.867 where: short stacking energy: -813.703 Base-Backbone interact. energy: -0.498 local terms energy: -849.361022 where: bonds (distance) C4'-P energy: -161.586 bonds (distance) P-C4' energy: -167.396 flat angles C4'-P-C4' energy: -187.295 flat angles P-C4'-P energy: -110.815 tors. eta vs tors. theta energy: -222.269 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: 4 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -2667.703630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2667.703630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2667.703630 (E_RNA) where: Base-Base interactions energy: -1836.386 where: short stacking energy: -783.449 Base-Backbone interact. energy: -1.328 local terms energy: -829.990268 where: bonds (distance) C4'-P energy: -143.583 bonds (distance) P-C4' energy: -165.060 flat angles C4'-P-C4' energy: -174.622 flat angles P-C4'-P energy: -123.099 tors. eta vs tors. theta energy: -223.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -2172.327070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2172.327070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2172.327070 (E_RNA) where: Base-Base interactions energy: -1430.046 where: short stacking energy: -670.528 Base-Backbone interact. energy: -2.737 local terms energy: -739.543849 where: bonds (distance) C4'-P energy: -123.886 bonds (distance) P-C4' energy: -163.083 flat angles C4'-P-C4' energy: -167.556 flat angles P-C4'-P energy: -103.828 tors. eta vs tors. theta energy: -181.190 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: 9 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1824.516598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.516598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.516598 (E_RNA) where: Base-Base interactions energy: -1214.525 where: short stacking energy: -525.624 Base-Backbone interact. energy: -1.864 local terms energy: -608.127251 where: bonds (distance) C4'-P energy: -145.045 bonds (distance) P-C4' energy: -155.123 flat angles C4'-P-C4' energy: -134.960 flat angles P-C4'-P energy: -98.428 tors. eta vs tors. theta energy: -74.572 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: 5 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -1698.198499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.198499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.198499 (E_RNA) where: Base-Base interactions energy: -1088.147 where: short stacking energy: -485.412 Base-Backbone interact. energy: 4.374 local terms energy: -614.426323 where: bonds (distance) C4'-P energy: -136.779 bonds (distance) P-C4' energy: -173.298 flat angles C4'-P-C4' energy: -141.662 flat angles P-C4'-P energy: -84.675 tors. eta vs tors. theta energy: -78.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -1134.739990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.739990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.739990 (E_RNA) where: Base-Base interactions energy: -665.271 where: short stacking energy: -313.335 Base-Backbone interact. energy: 1.537 local terms energy: -471.005386 where: bonds (distance) C4'-P energy: -133.961 bonds (distance) P-C4' energy: -130.513 flat angles C4'-P-C4' energy: -113.022 flat angles P-C4'-P energy: -84.434 tors. eta vs tors. theta energy: -9.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -3387.635035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3387.635035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3387.635035 (E_RNA) where: Base-Base interactions energy: -2376.859 where: short stacking energy: -973.504 Base-Backbone interact. energy: -0.876 local terms energy: -1009.900125 where: bonds (distance) C4'-P energy: -179.180 bonds (distance) P-C4' energy: -190.476 flat angles C4'-P-C4' energy: -212.823 flat angles P-C4'-P energy: -142.540 tors. eta vs tors. theta energy: -284.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -3223.386385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3223.386385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3223.386385 (E_RNA) where: Base-Base interactions energy: -2239.813 where: short stacking energy: -932.888 Base-Backbone interact. energy: -3.014 local terms energy: -980.559295 where: bonds (distance) C4'-P energy: -180.032 bonds (distance) P-C4' energy: -187.587 flat angles C4'-P-C4' energy: -206.005 flat angles P-C4'-P energy: -133.930 tors. eta vs tors. theta energy: -273.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -3047.863923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3047.863923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3047.863923 (E_RNA) where: Base-Base interactions energy: -2153.273 where: short stacking energy: -910.429 Base-Backbone interact. energy: -0.249 local terms energy: -894.341926 where: bonds (distance) C4'-P energy: -169.660 bonds (distance) P-C4' energy: -167.920 flat angles C4'-P-C4' energy: -196.333 flat angles P-C4'-P energy: -118.580 tors. eta vs tors. theta energy: -241.849 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: 8 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -2841.735777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2841.735777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2841.735777 (E_RNA) where: Base-Base interactions energy: -2007.603 where: short stacking energy: -806.128 Base-Backbone interact. energy: -1.003 local terms energy: -833.129483 where: bonds (distance) C4'-P energy: -150.235 bonds (distance) P-C4' energy: -152.198 flat angles C4'-P-C4' energy: -184.010 flat angles P-C4'-P energy: -111.127 tors. eta vs tors. theta energy: -235.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -2798.803197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2798.803197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2798.803197 (E_RNA) where: Base-Base interactions energy: -1950.566 where: short stacking energy: -822.951 Base-Backbone interact. energy: -0.516 local terms energy: -847.721522 where: bonds (distance) C4'-P energy: -152.612 bonds (distance) P-C4' energy: -167.840 flat angles C4'-P-C4' energy: -180.400 flat angles P-C4'-P energy: -106.834 tors. eta vs tors. theta energy: -240.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -2648.055691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2648.055691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2648.055691 (E_RNA) where: Base-Base interactions energy: -1843.221 where: short stacking energy: -773.004 Base-Backbone interact. energy: -2.861 local terms energy: -801.973918 where: bonds (distance) C4'-P energy: -150.401 bonds (distance) P-C4' energy: -144.311 flat angles C4'-P-C4' energy: -166.272 flat angles P-C4'-P energy: -127.110 tors. eta vs tors. theta energy: -213.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -2237.743592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2237.743592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2237.743592 (E_RNA) where: Base-Base interactions energy: -1520.715 where: short stacking energy: -657.536 Base-Backbone interact. energy: -1.184 local terms energy: -715.844547 where: bonds (distance) C4'-P energy: -163.227 bonds (distance) P-C4' energy: -148.719 flat angles C4'-P-C4' energy: -171.318 flat angles P-C4'-P energy: -91.819 tors. eta vs tors. theta energy: -140.761 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: 9 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1876.118107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.118107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.118107 (E_RNA) where: Base-Base interactions energy: -1235.988 where: short stacking energy: -553.783 Base-Backbone interact. energy: -2.077 local terms energy: -638.053611 where: bonds (distance) C4'-P energy: -145.350 bonds (distance) P-C4' energy: -125.431 flat angles C4'-P-C4' energy: -162.373 flat angles P-C4'-P energy: -91.730 tors. eta vs tors. theta energy: -113.169 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: 5 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -1738.870940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.870940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.870940 (E_RNA) where: Base-Base interactions energy: -1140.777 where: short stacking energy: -504.783 Base-Backbone interact. energy: -1.036 local terms energy: -597.057603 where: bonds (distance) C4'-P energy: -119.064 bonds (distance) P-C4' energy: -143.889 flat angles C4'-P-C4' energy: -161.686 flat angles P-C4'-P energy: -82.628 tors. eta vs tors. theta energy: -89.790 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: 10 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -1158.837015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.837015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.837015 (E_RNA) where: Base-Base interactions energy: -655.407 where: short stacking energy: -358.574 Base-Backbone interact. energy: 2.255 local terms energy: -505.684899 where: bonds (distance) C4'-P energy: -156.491 bonds (distance) P-C4' energy: -125.301 flat angles C4'-P-C4' energy: -134.553 flat angles P-C4'-P energy: -79.962 tors. eta vs tors. theta energy: -9.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -3365.286425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3365.286425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3365.286425 (E_RNA) where: Base-Base interactions energy: -2365.263 where: short stacking energy: -999.945 Base-Backbone interact. energy: -3.919 local terms energy: -996.105290 where: bonds (distance) C4'-P energy: -185.461 bonds (distance) P-C4' energy: -165.204 flat angles C4'-P-C4' energy: -213.495 flat angles P-C4'-P energy: -138.452 tors. eta vs tors. theta energy: -293.493 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: 2, replica: 2 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -3235.335350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3235.335350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3235.335350 (E_RNA) where: Base-Base interactions energy: -2270.682 where: short stacking energy: -965.966 Base-Backbone interact. energy: -2.678 local terms energy: -961.975624 where: bonds (distance) C4'-P energy: -161.203 bonds (distance) P-C4' energy: -181.594 flat angles C4'-P-C4' energy: -203.518 flat angles P-C4'-P energy: -145.279 tors. eta vs tors. theta energy: -270.382 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: 1 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -3088.262964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -3088.262964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -3088.262964 (E_RNA) where: Base-Base interactions energy: -2178.619 where: short stacking energy: -925.966 Base-Backbone interact. energy: 0.795 local terms energy: -910.438591 where: bonds (distance) C4'-P energy: -160.312 bonds (distance) P-C4' energy: -161.916 flat angles C4'-P-C4' energy: -193.787 flat angles P-C4'-P energy: -127.554 tors. eta vs tors. theta energy: -266.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -2859.714341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2859.714341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2859.714341 (E_RNA) where: Base-Base interactions energy: -1970.611 where: short stacking energy: -854.742 Base-Backbone interact. energy: -3.562 local terms energy: -885.541338 where: bonds (distance) C4'-P energy: -168.756 bonds (distance) P-C4' energy: -162.041 flat angles C4'-P-C4' energy: -205.477 flat angles P-C4'-P energy: -123.980 tors. eta vs tors. theta energy: -225.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -2789.390187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2789.390187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2789.390187 (E_RNA) where: Base-Base interactions energy: -1956.927 where: short stacking energy: -789.462 Base-Backbone interact. energy: 2.452 local terms energy: -834.915280 where: bonds (distance) C4'-P energy: -174.396 bonds (distance) P-C4' energy: -152.549 flat angles C4'-P-C4' energy: -175.341 flat angles P-C4'-P energy: -109.744 tors. eta vs tors. theta energy: -222.885 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: 4 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -2702.094817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2702.094817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2702.094817 (E_RNA) where: Base-Base interactions energy: -1841.155 where: short stacking energy: -778.444 Base-Backbone interact. energy: -0.852 local terms energy: -860.087577 where: bonds (distance) C4'-P energy: -130.317 bonds (distance) P-C4' energy: -180.691 flat angles C4'-P-C4' energy: -199.982 flat angles P-C4'-P energy: -108.612 tors. eta vs tors. theta energy: -240.487 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: 7 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -2186.744263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -2186.744263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -2186.744263 (E_RNA) where: Base-Base interactions energy: -1451.274 where: short stacking energy: -619.077 Base-Backbone interact. energy: 2.202 local terms energy: -737.671501 where: bonds (distance) C4'-P energy: -143.909 bonds (distance) P-C4' energy: -163.762 flat angles C4'-P-C4' energy: -157.305 flat angles P-C4'-P energy: -100.421 tors. eta vs tors. theta energy: -172.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1908.571010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1908.571010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1908.571010 (E_RNA) where: Base-Base interactions energy: -1297.007 where: short stacking energy: -574.200 Base-Backbone interact. energy: -2.054 local terms energy: -609.509762 where: bonds (distance) C4'-P energy: -135.550 bonds (distance) P-C4' energy: -116.505 flat angles C4'-P-C4' energy: -153.263 flat angles P-C4'-P energy: -91.263 tors. eta vs tors. theta energy: -112.928 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: 5 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -1747.481596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.481596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.481596 (E_RNA) where: Base-Base interactions energy: -1152.180 where: short stacking energy: -521.448 Base-Backbone interact. energy: 1.742 local terms energy: -597.043870 where: bonds (distance) C4'-P energy: -123.802 bonds (distance) P-C4' energy: -147.262 flat angles C4'-P-C4' energy: -143.609 flat angles P-C4'-P energy: -101.600 tors. eta vs tors. theta energy: -80.771 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: 10 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -1151.468828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.468828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.468828 (E_RNA) where: Base-Base interactions energy: -691.068 where: short stacking energy: -347.614 Base-Backbone interact. energy: 6.902 local terms energy: -467.302162 where: bonds (distance) C4'-P energy: -122.948 bonds (distance) P-C4' energy: -135.310 flat angles C4'-P-C4' energy: -143.659 flat angles P-C4'-P energy: -50.980 tors. eta vs tors. theta energy: -14.406 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)